SCHEMBL482096

SCHEMBL482096

CC1(C)OB(c2ccc3c(c2)ncn3C(=O)O)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.38
LPL P06858 3/20 0.38
P4HB P07237 1/20 0.37
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ROCK1 Q13464 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
DGAT1 O75907 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HIF1A Q16665 3/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
HCAR3 P49019 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12502467 0.90 IDO1 (0.38) LIPGLPLP4HBF2F11
SCHEMBL11909512 0.84 HIF1A (0.39) LIPGLPLROCK1IDO1TDO2
SCHEMBL481893 0.83 USP30 (0.43) F2F11PRSS1PRSS2PRSS3
SCHEMBL2029704 0.81 AAK1 (0.37) LIPGROCK1DGAT1HIF1AGSK3A
SCHEMBL13028375 0.79 GRM5 (0.42) LIPGLPLIRAK4SMN1; SMN2
SCHEMBL2144580 0.77 MTNR1A (0.42) DGAT1IRAK4HIF1AGSK3AGSK3B
SCHEMBL1129103 0.76 FGFR1 (0.56) KDR
SCHEMBL3040210 0.76 LPL (0.41) LIPGLPLP4HBROCK1IDO1
SCHEMBL14250823 0.76 GRIN2B (0.38) ROCK1
SCHEMBL2461405 0.76 LIPG (0.40) LIPGLPLP4HBF2F11

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
EP-2670410-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Evolva SA (CH) 2013-12-11 EP disclosed
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
WO-2012104305-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2012-08-09 WO disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed

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

For each of this compound's patents that has machine-readable text (4 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA LIPG 201/4885LPL 366/4885P4HB 3893/4885
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 LIPG 4128/4885LPL 4604/4885P4HB 4566/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 LIPG 223/4885LPL 343/4885P4HB 3708/4885
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD LIPG 1730/4885LPL 1876/4885P4HB 2125/4885

“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.