SCHEMBL2547967

SCHEMBL2547967

CN(C)/C=N\c1cnc(-c2cccc(CO)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 10/20 0.44
▸ PRKCI P41743 1/20 0.40
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ GPR68 Q15743 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ MAP2K4 P45985 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
SCHEMBL10298009 1.00 FYN (0.44) FYNPRKCICHRNB4CHRNA3CHRNA7
SCHEMBL2547969 1.00 FYN (0.44) FYNPRKCICHRNB4CHRNA3CHRNA7
SCHEMBL3084233 0.79 MAP4K4 (0.44) FYNLRRK2CDK8KDM4EMEN1
SCHEMBL1301463 0.76 CDK8 (0.46) CDK8ALDH1A1
SCHEMBL1301460 0.76 CDK8 (0.46) CDK8ALDH1A1
SCHEMBL1581550 0.75 PRKCI (0.50) FYNPRKCICHRNB4CHRNA3CHRNA7
SCHEMBL3650445 0.74 PRKCI (0.51) FYNPRKCICHRNB4CHRNA3CHRNA7
SCHEMBL3650131 0.72 PRKCI (0.50) FYNPRKCICHRNB4CHRNA3CHRNA7
SCHEMBL13285567 0.72 PRKCI (0.50) FYNPRKCICHRNB4CHRNA3CHRNA7
SCHEMBL31500185 0.72 PRKCI (0.50) FYNPRKCICHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284300-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-03-15 — — US disclosed
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 — — US disclosed
US-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 — — US disclosed
US-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 — — US disclosed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 — — US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-8431572-B2 2-oxo-3-benzylbenzoxazol-2-one derivatives and related compounds as met kinase inhibitors for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-30 — — US disclosed
US-8211886-B2 Thiadiazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 — — US disclosed
US-8071593-B2 2-oxo-3-benzylbenzoxazol-2-one derivatives and related compounds as Met kinase inhibitors for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-12-06 — — US disclosed
US-20110263596-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS SCHADT OLIVER 2011-10-27 — — US disclosed
US-20100311733-A1 THIADIAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT ESCHRANKTER HAFTUNG (DE) 2010-12-09 — — US disclosed
US-20100280030-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-04 — — US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 — — US 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 (7 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-20100280030-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS ERBB2, RET, MET FYN 469/4885PRKCI 225/4885CHRNB4 4768/4885
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 FYN 565/4885PRKCI 797/4885CHRNB4 4386/4885
US-20110263596-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS MET, RET, ERBB2 FYN 551/4885PRKCI 125/4885CHRNB4 3851/4885
US-20100311733-A1 THIADIAZINONE DERIVATIVES MET, ABL1, RET FYN 342/4885PRKCI 749/4885CHRNB4 4703/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 FYN 510/4885PRKCI 883/4885CHRNB4 4375/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 FYN 510/4885PRKCI 883/4885CHRNB4 4375/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 FYN 488/4885PRKCI 987/4885CHRNB4 4208/4885

“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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