SCHEMBL3084233

SCHEMBL3084233

CC(=O)c1cccc(-c2ncc(/N=C\N(C)C)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.44
▸ CLK4 Q9HAZ1 3/20 0.44
▸ CSNK1G2 P78368 2/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.44
▸ MAP4K5 Q9Y4K4 2/20 0.44
▸ FYN P06241 9/20 0.43
▸ KDR P35968 2/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ ACVR1 Q04771 2/20 0.42
▸ MST1R Q04912 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ DYRK1B Q9Y463 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ DCLK1 O15075 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ CHEK2 O96017 1/20 0.42

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
SCHEMBL13152980 1.00 MAP4K4 (0.44) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL3084254 1.00 MAP4K4 (0.44) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL1301463 0.86 CDK8 (0.46) CDK8ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1301460 0.86 CDK8 (0.46) CDK8ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2547967 0.79 FYN (0.44) FYNCDK8LRRK2ALDH1A1MEN1
SCHEMBL2547969 0.79 FYN (0.44) FYNCDK8LRRK2ALDH1A1MEN1
SCHEMBL23344109 0.75 MAP4K4 (0.54) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL3095898 0.75 MAP4K4 (0.54) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL23344085 0.74 MAP4K4 (0.52) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL13692315 0.73 MEN1 (0.56) MAP4K4CLK4CSNK1G2MKNK2MAP4K5

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 8 patents. 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-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
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

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 MAP4K4 78/4885CLK4 608/4885CSNK1G2 385/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MAP4K4 69/4885CLK4 609/4885CSNK1G2 391/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MAP4K4 69/4885CLK4 609/4885CSNK1G2 391/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MAP4K4 79/4885CLK4 677/4885CSNK1G2 425/4885

“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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