SCHEMBL1950805

SCHEMBL1950805

COC(=O)c1cccc(-c2ncc(N3CCN(C)CC3)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53BP1 Q12888 2/20 0.51
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ WDR5 P61964 1/20 0.47
▸ CDK8 P49336 1/20 0.46
▸ PRKD1 Q15139 2/20 0.46
▸ PLOD2 O00469 1/20 0.46
▸ PLOD3 O60568 1/20 0.46
▸ PLOD1 Q02809 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ MAP4K1 Q92918 1/20 0.45
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ VNN1 O95497 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL1948663 0.87 CDK8 (0.48) NPC1RAB9AKMT2ACDK8HTR7
SCHEMBL13099323 0.86 CHEK1 (0.53) TP53BP1NPC1RAB9AKMT2APRKD1
SCHEMBL1952325 0.83 CKS1B (0.49) KMT2AALDH1A1
SCHEMBL27775523 0.83 NPC1 (0.42) TP53BP1NPC1RAB9AKMT2ACDK8
SCHEMBL1579908 0.82 PHGDH (0.41) TP53BP1NPC1RAB9AKMT2ACDK8
SCHEMBL1490676 0.82 PLOD2 (0.60) NPC1KMT2AWDR5PLOD2PLOD3
Tert-Butyl Formate SCHEMBL27775525 0.79 CHRM3 (0.43) NPC1RAB9AKMT2ACDK8HTR7
SCHEMBL1301605 0.77 CDK8 (0.56) NPC1RAB9ACDK8GABRG2GABRB3
SCHEMBL1950804 0.77 CDK8 (0.56) NPC1RAB9ACDK8GABRG2GABRB3
SCHEMBL937242 0.77 PRKD1 (0.70) NPC1RAB9APRKD1POLBMAP4K1

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 53 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-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-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-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-20100273796-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-28 — — 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-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
WO-2009083076-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-07-09 — — 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-20100273796-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS ERBB2, RET, MET TP53BP1 856/4885NPC1 4466/4885RAB9A 2393/4885
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 TP53BP1 1044/4885NPC1 4412/4885RAB9A 1947/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 TP53BP1 742/4885NPC1 4682/4885RAB9A 3261/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 TP53BP1 757/4885NPC1 4702/4885RAB9A 3048/4885

“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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