Ly-2090314

Ly-2090314

SCHEMBL633455

O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3B

The experimentally established mechanism targets of Ly-2090314. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B known ✓ P49841 20/20 1.00
GSK3A known ✓ P49840 14/20 1.00
PRKCB P05771 6/20 1.00
CDK4 P11802 6/20 1.00
CDK2 P24941 5/20 1.00
CDK5 Q00535 3/20 1.00
PDK1 Q15118 3/20 1.00
CAMK2G Q13555 3/20 1.00
CAMK2D Q13557 3/20 1.00
PRKCG P05129 2/20 1.00
LCK P06239 2/20 1.00
CDK1 P06493 2/20 1.00
PIM1 P11309 2/20 1.00
CLK2 P49760 2/20 1.00
RPS6KA3 P51812 2/20 1.00
PRKCD Q05655 2/20 1.00
DYRK1A Q13627 2/20 1.00
PKN2 Q16513 2/20 1.00
SLK Q9H2G2 2/20 1.00
CLK4 Q9HAZ1 2/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ly-2090314 SCHEMBL29533963 1.00 GSK3B (1.00) GSK3BGSK3APRKCBCDK4CDK2
Ly-2090314 SCHEMBL635424 0.99 GSK3B (0.98) GSK3BGSK3APRKCBCDK4CDK2
Ly-2090314 SCHEMBL633612 0.96 GSK3B (0.93) GSK3BGSK3APRKCBCDK4CDK2
Ly-2090314 SCHEMBL633866 0.96 GSK3B (0.92) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL23874280 0.94 GSK3B (0.89) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577647 0.93 GSK3B (0.86) GSK3BGSK3APRKCBCDK4CDK2
Ly-2090314 SCHEMBL29549862 0.92 GSK3B (0.85) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577683 0.92 GSK3B (0.84) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577649 0.91 GSK3B (0.84) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577715 0.91 GSK3B (0.84) GSK3BGSK3APRKCBCDK4CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 168 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11160868-B2 Thermoreversible compositions for administration of therapeutic agents Frequency Therapeutics, Inc. (US) 2021-11-02 US claimed
US-20200355674-A1 HUMAN IPSC-BASED DRUG TESTING PLATFORM FOR MUSCULAR DYSTROPHY THE JOHNS HOPKINS UNIVERSITY (US) 2020-11-12 US claimed
US-10744141-B2 Compositions and methods for treating cancer CASE WESTERN RESERVE UNIVERSITY (US) 2020-08-18 US claimed
US-20190231880-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS Frequency Therapeutics, Inc. 2019-08-01 US claimed
US-10016507-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using GSK3 inhibitors: III Frequency Therapeutics, Inc. (US) 2018-07-10 US claimed
US-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASE WESTERN RESERVE UNIVERSITY 2018-07-05 US claimed
EP-3313819-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER Case Western Reserve University (US) 2018-05-02 EP claimed
US-9913848-B2 Methods for controlled proliferation of stem cells / generating inner ear hair cells using 1,2,3,4-tetrahydro-[1,4]diazepino[6,7, 1-hi]indolyl based compounds Frequency Therapeutics, Inc. (US) 2018-03-13 US claimed
US-20170252353-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING 1,2,3,4-TETRAHYDRO-[1,4]DIAZEPINO[6,7, 1-HI]INDOLYL BASED COMPOUNDS Frequency Therapeutics, Inc. 2017-09-07 US claimed
US-20170252449-A1 SOLUBILIZED COMPOSITIONS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING GSK3 INHIBITORS: III Frequency Therapeutics, Inc. 2017-09-07 US claimed
US-8802668-B2 Hematopoietic neoplasm chemotherapy ELI LILLY AND COMPANY (US) 2014-08-12 US claimed
US-8648063-B2 Potentiation of cancer chemotherapy by 7-(2, 5-dihydro-4-imidazo [1, 2-a] pyridine-3-yl-2,5-dioxo-1H-pyrrol-3-yl)-9-fluoro-1,2,3,4 tetrahydro -2-(1-piperidinyl-carbonyl)-pyrrolo [3,2,1-jk] [1,4] benzodiazepine ELI LILLY AND COMPANY (US) 2014-02-11 US claimed
US-20130039996-A1 POTENTIATION OF CANCER CHEMOTHERAPY BY 7-(2, 5- DIHYDRO- 4-IMIDAZO [1, 2-A] PYRIDINE-3-YL-2,5-DIOXO-IH-PYRROL-3-YL)-9-FLUORO-1,2,3,4 TETRAHYDRO -2-(1-PIPERIDINYL-CARBONYL)-PYRROLO [3,2,1-JK] [1,4] BENZODIAZEPINE ELI LILLY AND COMPANY (US) 2013-02-14 US claimed
US-8318713-B2 Potentiation of cancer chemotherapy by 7-(2, 5-dihydro-4-imidazo [1, 2-A] pyridine-3-yl-2,5-Dioxo-1H-pyrrol-3-yl)-9-fluoro-1,2,3,4 tetrahydro-2-(1-piperidinyl-carbonyl)-pyrrolo [3,2,1-jk] [1,4] benzodiazepine ELI LILLY AND COMPANY (US) 2012-11-27 US claimed
EP-2419106-A1 BENZODIAZEPINE DERIVATIVE FOR THE TREATMENT OF HEMATOPOIETIC NEOPLASM AND LEUKEMIA Eli Lilly and Company (US) 2012-02-22 EP claimed
WO-2010120614-A1 BENZODIAZEPINE DERIVATIVE FOR THE TREATMENT OF HEMATOPOIETIC NEOPLASM AND LEUKEMIA ELI LILLY AND COMPANY (US) 2010-10-21 WO claimed
US-20100261712-A1 HEMATOPOIETIC NEOPLASM CHEMOTHERAPY ELI LILLY AND COMPANY (US) 2010-10-14 US claimed
US-20100166884-A1 POTENTIATION OF CANCER CHEMOTHERAPY BY 7-(2, 5- DIHYDRO- 4-IMIDAZO [1, 2-A] PYRIDINE-3-YL-2,5-DIOXO-IH-PYRROL-3-YL)-9-FLUORO-1,2,3,4 TETRAHYDRO -2-(1-PIPERIDINYL-CARBONYL)-PYRROLO [3,2,1-JK] [1,4] BENZODIAZEPINE ELI LILLY AND COMPANY 2010-07-01 US claimed
EP-2173348-A2 POTENTIATION OF CANCER CHEMOTHERAPY Eli Lilly & Company (US) 2010-04-14 EP claimed
WO-2009006043-A2 POTENTIATION OF CANCER CHEMOTHERAPY BY 7-(2,5-DIHYDRO-4-IMIDAZO [1,2-A]PYRINE-3-YL-2,5-DIOXO-IH-PYRROL-3-YL)-9-FLUORO-1,2,3,4 TETRAHYDRO-2-(1-PIPERIDINYL-CARBONYD-PYRROLO[3,2,1-JK][1,4]BENZODIAZEPINE ELI LILLY AND COMPANY (US) 2009-01-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190231880-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS MKI67, MCL1, HSPE1 GSK3B 575/4885GSK3A 536/4885PRKCB 525/4885
US-10016507-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using GSK3 inhibitors: III GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885PRKCB 92/4885
US-20100261712-A1 HEMATOPOIETIC NEOPLASM CHEMOTHERAPY MLLT1, BCR, MLLT3 GSK3B 3574/4885GSK3A 3316/4885PRKCB 2013/4885
US-20130039996-A1 POTENTIATION OF CANCER CHEMOTHERAPY BY 7-(2, 5- DIHYDRO- 4-IMIDAZO [1, 2-A] PYRIDINE-3-YL-2,5-DIOXO-IH-PYRROL-3-YL)-9-FLUORO-1,2,3,4 TETRAHYDRO -2-(1-PIPERIDINYL-CARBONYL)-PYRROLO [3,2,1-JK] [1,4] BENZODIAZEPINE GRIK1, DCK, HYPK GSK3B 1540/4885GSK3A 1516/4885PRKCB 1705/4885
US-11160868-B2 Thermoreversible compositions for administration of therapeutic agents MKI67, MCL1, HSPE1 GSK3B 575/4885GSK3A 536/4885PRKCB 525/4885
US-20100166884-A1 POTENTIATION OF CANCER CHEMOTHERAPY BY 7-(2, 5- DIHYDRO- 4-IMIDAZO [1, 2-A] PYRIDINE-3-YL-2,5-DIOXO-IH-PYRROL-3-YL)-9-FLUORO-1,2,3,4 TETRAHYDRO -2-(1-PIPERIDINYL-CARBONYL)-PYRROLO [3,2,1-JK] [1,4] BENZODIAZEPINE HYPK, DCK, GRIK1 GSK3B 1712/4885GSK3A 1710/4885PRKCB 1578/4885
US-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER PPP2CA, PPP3CA, PPP4C GSK3B 215/4885GSK3A 159/4885PRKCB 68/4885
US-10744141-B2 Compositions and methods for treating cancer PPP2CA, PPP3CA, PPP4C GSK3B 215/4885GSK3A 159/4885PRKCB 68/4885
US-20170252449-A1 SOLUBILIZED COMPOSITIONS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING GSK3 INHIBITORS: III GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885PRKCB 92/4885
US-20170252353-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING 1,2,3,4-TETRAHYDRO-[1,4]DIAZEPINO[6,7, 1-HI]INDOLYL BASED COMPOUNDS MKI67, TPH1, IDO1 GSK3B 781/4885GSK3A 901/4885PRKCB 4250/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.