SCHEMBL8171875

SCHEMBL8171875

Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK2 P19525 2/20 1.00
▸ MAPK12 P53778 2/20 1.00
▸ MAPK13 O15264 1/20 1.00
▸ MAPK11 Q15759 1/20 1.00
▸ MAPK14 Q16539 1/20 1.00
▸ MEN1 O00255 8/20 0.45
▸ KMT2A Q03164 8/20 0.45
▸ MAPT P10636 6/20 0.45
▸ CASP1 P29466 5/20 0.45
▸ CASP7 P55210 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ PABPC1 P11940 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ NPC1 O15118 2/20 0.45

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
SCHEMBL30821077 0.80 EIF2AK2 (0.67) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8176664 0.80 EIF2AK2 (0.66) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL10806544 0.77 MAPK13 (0.62) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL11120339 0.77 EIF2AK2 (0.62) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL10349467 0.72 EIF2AK2 (0.56) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL8172006 0.71 EIF2AK2 (0.54) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL4846358 0.70 EIF2AK2 (0.53) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL9286184 0.70 EIF2AK2 (0.53) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL18122168 0.69 MAPK13 (0.53) EIF2AK2MAPK12MAPK13MAPK11MAPK14
SCHEMBL25255273 0.68 MAPK13 (0.51) EIF2AK2MAPK12MAPK13MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190153394-A1 Generation of pancreatic endoderm from pluripotent stem cells using small molecules TAKARA BIO EUROPE SAS (FR) 2019-05-23 — — US disclosed
US-10221392-B2 Generation of pancreatic endoderm from pluripotent stem cells using small molecules NOVO NORDISK A/S (DK) 2019-03-05 — — US disclosed
US-20170114323-A1 USES OF KINASE INHIBITORS FOR INDUCING AND MAINTAINING PLURIPOTENCY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-04-27 — — US disclosed
US-20160326495-A1 Generation of Pancreatic Endoderm from Pluripotent Stem Cells using Small Molecules TAKARA BIO EUROPE SAS (FR) 2016-11-10 — — US disclosed
US-20160326495-A1 Generation of Pancreatic Endoderm from Pluripotent Stem Cells using Small Molecules TAKARA BIO EUROPE SAS (FR) 2016-11-10 — — US disclosed
US-20160250190-A1 N-METHYL PYRAZOLOANTHRONE FOR TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2016-09-01 — — US disclosed
US-20160250190-A1 N-METHYL PYRAZOLOANTHRONE FOR TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2016-09-01 — — US disclosed
US-20150247123-A1 Generation of pancreatic endoderm from Pluripotent Stem cells using small molecules TAKARA BIO EUROPE AB (SE) 2015-09-03 — — US disclosed
US-20150247123-A1 Generation of pancreatic endoderm from Pluripotent Stem cells using small molecules TAKARA BIO EUROPE AB (SE) 2015-09-03 — — US disclosed
WO-2014033322-A1 GENERATION OF PANCREATIC ENDODERM FROM PLURIPOTENT STEM CELLS USING SMALL MOLECULES NOVO NORDISK A/S (DK) 2014-03-06 — — WO disclosed
WO-2008091925-A2 TREATMENT OF AORTIC DISSECTION OR ANEURYSM COOK INCORPORATED (US) 2008-07-31 — — 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 (1 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-20160250190-A1 N-METHYL PYRAZOLOANTHRONE FOR TREATMENT OF CANCER CSNK1A1, CSNK1G1, CSNK1A1L EIF2AK2 1572/4885MAPK12 955/4885MAPK13 786/4885

“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.

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