SCHEMBL2527868

SCHEMBL2527868

N#Cc1cccc(-c2ccn[nH]c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 1/20 0.49
▸ MAOB P27338 2/20 0.47
▸ IDO1 P14902 2/20 0.47
▸ XDH P47989 1/20 0.45
▸ PGR P06401 4/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ MAP4K4 O95819 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ PRF1 P14222 1/20 0.40

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
SCHEMBL918364 0.75 SCN4A (0.52) CLK4LRRK2
Hydrochloric Acid SCHEMBL30014721 0.73 SCN4A (0.50) CLK4LRRK2
SCHEMBL5067695 0.73 ALDH1A1 (0.54) CLK4PGRBRD4GSK3ALRRK2
SCHEMBL4787445 0.72 SCN4A (0.48) CLK4MAOB
SCHEMBL4716316 0.71 IDO1 (0.51) CLK4MAOBIDO1XDHPGR
SCHEMBL996127 0.70 ADRA2C (0.64) CLK4MAOBIDO1XDHCHEK1
SCHEMBL1456892 0.70 HCAR2 (0.41) IDO1
SCHEMBL2154026 0.70 CLK4 (0.65) CLK4MAOBIDO1XDHPGR
SCHEMBL14955294 0.69 CYP2A6 (0.58) —
SCHEMBL2674180 0.69 KDM4E (0.55) CLK4MAOBXDHPGRCHEK1

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 14 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
CN-102264727-B Pyridazinone derivatives MERCK PATENT GMBH 2014-11-05 — — CN disclosed
US-8637518-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-01-28 — — US disclosed
CN-101743241-B Pyridazinone derivates MERCK PATENT GMBH 2013-12-25 — — CN disclosed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 — — US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
CN-102264727-A Pyridazinone derivatives — 2011-11-30 — — CN disclosed
US-20110257181-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-20 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110257181-A1 PYRIDAZINONE DERIVATIVES MET, TYRO3, ERBB2 CLK4 785/4885MAOB 1013/4885IDO1 749/4885
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CLK4 608/4885MAOB 1388/4885IDO1 949/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CLK4 609/4885MAOB 1199/4885IDO1 1064/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CLK4 609/4885MAOB 1199/4885IDO1 1064/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CLK4 677/4885MAOB 1313/4885IDO1 1192/4885

“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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