SCHEMBL3082147

SCHEMBL3082147

CC(O)c1cccc(-c2ncc(OCCCN(C)C)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ LSS P48449 1/20 0.45
▸ ESR1 P03372 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CXCR1 P25024 1/20 0.40
▸ CHEK2 O96017 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38

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
SCHEMBL13152979 1.00 MET (0.47) METKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL16199801 0.89 MET (0.46) METKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL12547150 0.88 MET (0.47) METKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1301780 0.80 MET (0.56) METKDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL3740603 0.79 MET (0.52) METKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL3102033 0.79 MET (0.52) METKDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL12241276 0.78 MET (0.50) METSMN1; SMN2
SCHEMBL2545733 0.77 MET (0.49) MET
SCHEMBL1317864 0.77 MET (0.52) METKDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL1316603 0.76 CHEK2 (0.52) METKDM4EALDH1A1SMN1; SMN2LMNA

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 12 patents. 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-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-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 — — US disclosed
EP-2164843-B1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2014-10-29 — — EP disclosed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 — — US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 — — US disclosed
EP-2164843-A1 PYRIDAZINONE DERIVATES Merck Patent GmbH (DE) 2010-03-24 — — EP 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 (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-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885KDM4E 1052/4885ALDH1A1 1025/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885KDM4E 1187/4885ALDH1A1 1178/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885KDM4E 1187/4885ALDH1A1 1178/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885KDM4E 1089/4885ALDH1A1 1353/4885

“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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