SCHEMBL1581704

SCHEMBL1581704

CN1CCN(c2cnc(-c3cccc(CO)c3)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.48
▸ JAK1 P23458 3/20 0.48
▸ JAK3 P52333 3/20 0.48
▸ CHKA P35790 1/20 0.46
▸ ACVRL1 P37023 1/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ AOC3 Q16853 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ PIK3CA P42336 4/20 0.43
▸ AGXT P21549 1/20 0.43
▸ PIK3CD O00329 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ MET P08581 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41

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
SCHEMBL12547524 0.87 AOC3 (0.46) AOC3HTR3AAGXTTLR9MET
SCHEMBL27880563 0.84 MGLL (0.44) AOC3PIK3CAPIK3CDMTORPIK3CG
SCHEMBL1951257 0.80 GPR119 (0.52) PIK3CAMET
SCHEMBL13099323 0.79 CHEK1 (0.53) HTR3AMAP4K1
SCHEMBL11891932 0.78 AGXT (0.65) JAK2JAK1JAK3CHKAHTR3A
SCHEMBL1296276 0.78 MET (0.57) METMAP4K1
SCHEMBL3631784 0.78 GPR119 (0.38) AOC3PIK3CAPIK3CDMTORPIK3CG
SCHEMBL12547624 0.77 MAP4K1 (0.44) ACVR1METMAP4K1
SCHEMBL1950805 0.76 TP53BP1 (0.51) MAP4K1
Tert-Butyl Formate SCHEMBL27775553 0.76 TGFB2 (0.41) JAK2JAK1ACVR1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2754660-B1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-11-02 — — EP 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-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-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
EP-2220070-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS Merck Patent GmbH (DE) 2010-08-25 — — EP disclosed
EP-2164843-A1 PYRIDAZINONE DERIVATES Merck Patent GmbH (DE) 2010-03-24 — — EP disclosed
EP-2150551-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) 2010-02-10 — — EP disclosed
WO-2009083076-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-07-09 — — WO disclosed
WO-2009083076-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-07-09 — — 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 (2 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-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 JAK2 10/4885JAK1 25/4885JAK3 71/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 JAK2 16/4885JAK1 28/4885JAK3 105/4885

“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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