SCHEMBL1950804

SCHEMBL1950804

COC(=O)c1cccc(-c2ncc(C)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.56
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
NEK1 Q96PY6 5/20 0.51
AXL P30530 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC4 P56524 1/20 0.49
ERN1 O75460 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
ATM Q13315 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL1301605 0.88 CDK8 (0.56) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL1950004 0.86 CDK8 (0.54) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL1951208 0.86 CDK8 (0.54) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL5558179 0.85 CDK8 (0.56) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL410498 0.85 GABRG2 (0.54) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL22070774 0.84 HSD17B10 (0.47) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL23344109 0.82 MAP4K4 (0.54) CDK8HDAC4NPC1RAB9AABL1
SCHEMBL67941 0.81 CA12 (0.68) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL19145369 0.81 PARP1 (0.58) CDK8AXLHDAC4ABL1
SCHEMBL21346781 0.80 TDP1 (0.60) CA12CA1CA2CA9HDAC4

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 70 patents — showing the first 20. 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-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-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 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-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 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-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 US disclosed
US-20100273796-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-28 US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
CN-101784544-A thiadiazinone derivatives MERCK PATENT GMBH 2010-07-21 CN disclosed
CN-101743241-A pyridazinone derivates MERCK PATENT GMBH 2010-06-16 CN disclosed
CN-101679401-A 2-oxo-3-benzyl-benzoxazol-2-one derivatives and related compounds as MET kinase inhibitors for the treatment of tumors MERCK PATENT GMBH 2010-03-24 CN disclosed
WO-2009083076-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-07-09 WO disclosed
WO-2009030333-A1 THIADIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 WO disclosed
WO-2009006959-A1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2009-01-15 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 (3 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-20100273796-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS ERBB2, RET, MET CDK8 588/4885GABRG2 1020/4885GABRB3 1369/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CDK8 202/4885GABRG2 2979/4885GABRB3 3120/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CDK8 201/4885GABRG2 2669/4885GABRB3 2845/4885

“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.