SCHEMBL4510187

SCHEMBL4510187

CCc1c(OCc2ccccc2C#N)ncn(Cc2ccc(OC)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.48
BACE1 P56817 1/20 0.46
FFAR1 O14842 1/20 0.41
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CTSL P07711 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GNRHR P30968 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
MAOB P27338 2/20 0.38
PLK1 P53350 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 1/20 0.37
KLKB1 P03952 1/20 0.37

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
SCHEMBL4514301 0.91 MAPK14 (0.46) NPBWR1FFAR1TP53KMT2ARXFP1
SCHEMBL4516279 0.85 ROCK2 (0.40) NPBWR1TP53KMT2AKDM4EMAPK14
SCHEMBL16280701 0.76 KMT2A (0.67) NPBWR1TP53KMT2ARXFP1MAPT
SCHEMBL4524327 0.75 MAPK14 (0.48) TP53KMT2ARXFP1KDM4EMAPK14
SCHEMBL3521590 0.75 MAPK14 (0.62) KMT2ARXFP1KDM4EMAPK14
SCHEMBL18024115 0.74 GRIN1 (0.52) NPBWR1BACE1KMT2ARXFP1CTSL
SCHEMBL4512896 0.71 MAPK14 (0.52) NPBWR1BACE1FFAR1TP53KMT2A
SCHEMBL3520768 0.70 TP53 (0.45) NPBWR1TP53KMT2AMAOBMAPK14
SCHEMBL4513217 0.70 MAOB (0.41) FFAR1KMT2AKDM4EMAOB
SCHEMBL4506945 0.70 MAOB (0.47) NPBWR1BACE1FFAR1KMT2ARXFP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 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 (1 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 NPBWR1 2132/4885BACE1 2647/4885FFAR1 2216/4885

“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.