SCHEMBL1948663

SCHEMBL1948663

COC(=O)c1cccc(-c2ncc(N3CCNCC3)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.48
▸ CHRM3 P20309 1/20 0.47
▸ HTR1A P08908 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ BMPR1B O00238 1/20 0.46
▸ ACVRL1 P37023 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46
▸ NEK1 Q96PY6 4/20 0.45
▸ AXL P30530 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CHEK1 O14757 1/20 0.43

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
Tert-Butyl Formate SCHEMBL27775525 0.91 CHRM3 (0.43) CDK8CHRM3HTR1AHTR7BMPR1B
SCHEMBL1950805 0.87 TP53BP1 (0.51) CDK8HTR7NEK1KMT2AGABRG2
SCHEMBL2876503 0.82 ADRB1 (0.59) CHRM3HTR1AHTR7KMT2ANPC1
SCHEMBL1952325 0.80 CKS1B (0.49) KMT2AMEN1ALDH1A1TSHR
SCHEMBL27775523 0.80 NPC1 (0.42) CDK8HTR7NEK1AXLKMT2A
SCHEMBL1579908 0.79 PHGDH (0.41) CDK8HTR7NEK1AXLKMT2A
SCHEMBL23536740 0.76 CHRNB2 (0.48) KMT2ANPC1RAB9AADRB1KDM4E
SCHEMBL1950804 0.76 CDK8 (0.56) CDK8NEK1AXLGABRG2GABRB3
SCHEMBL1301605 0.76 CDK8 (0.56) CDK8NEK1AXLGABRG2GABRB3
SCHEMBL1951208 0.75 CDK8 (0.54) CDK8NEK1AXLGABRG2GABRB3

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 43 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-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 — — US disclosed
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 — — 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-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-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-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

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-20100280030-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS ERBB2, RET, MET CDK8 355/4885CHRM3 4198/4885HTR1A 2006/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CDK8 202/4885CHRM3 1850/4885HTR1A 706/4885
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS RET, BMX, ERBB2 CDK8 752/4885CHRM3 1244/4885HTR1A 478/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CDK8 201/4885CHRM3 2030/4885HTR1A 636/4885

“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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