SCHEMBL1317864

SCHEMBL1317864

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.52
▸ KDR P35968 3/20 0.52
▸ FYN P06241 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LSS P48449 1/20 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

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
SCHEMBL3102033 0.88 MET (0.52) METKDRFYNKDM4EALDH1A1
SCHEMBL3740603 0.88 MET (0.52) METKDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL13039311 0.83 MET (0.44) METKDRFYNCYP3A4CYP2D6
SCHEMBL1316603 0.80 CHEK2 (0.52) METKDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL1301780 0.79 MET (0.56) METKDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2546891 0.79 MET (0.51) MET
SCHEMBL12241137 0.78 MET (0.51) METALDH1A1
SCHEMBL13152979 0.77 MET (0.47) METKDRCDK8KDM4EALDH1A1
SCHEMBL3082147 0.77 MET (0.47) METKDRCDK8KDM4EALDH1A1
SCHEMBL8126769 0.77 ESR1 (0.60) KDM4EALDH1A1SMN1; SMN2ESR1CYP3A4

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310013-B1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2017-08-23 — — EP disclosed
EP-2754660-B1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-11-02 — — EP disclosed
US-9376426-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 — — US disclosed
US-9376426-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 — — US disclosed
US-9376426-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 — — US disclosed
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-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-2010078910-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-15 — — WO disclosed
WO-2010017870-A1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2010-02-18 — — WO 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
WO-2008148449-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-12-11 — — 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 MET 3/4885KDR 43/4885FYN 355/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885KDR 103/4885FYN 510/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885KDR 59/4885FYN 488/4885

“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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