SCHEMBL4512896

SCHEMBL4512896

COc1ccc(Cn2c(C)cc(OCc3ccccc3C#N)c(C)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
NPBWR1 P48145 1/20 0.46
MAOB P27338 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
FFAR1 O14842 1/20 0.42
TP53 P04637 1/20 0.42
PDE1A P54750 4/20 0.42
PDE1B Q01064 4/20 0.42
PDE1C Q14123 4/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAPT P10636 1/20 0.40
CSNK2A2 P19784 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
SCHEMBL4515765 0.91 MAPK14 (0.56) MAPK14MAOBALDH1A1KDM4EFFAR1
SCHEMBL4511623 0.90 MAPK14 (0.64) MAPK14NPBWR1MAOBRXFP1BACE1
SCHEMBL4512116 0.88 MAPK14 (0.54) MAPK14NPBWR1MAOBRXFP1BACE1
SCHEMBL4522650 0.85 MAPK14 (0.49) MAPK14ALDH1A1KDM4EPDE1APDE1B
SCHEMBL4506945 0.84 MAOB (0.47) MAPK14NPBWR1MAOBRXFP1BACE1
SCHEMBL4511905 0.81 MAPK14 (0.45) MAPK14ALDH1A1KDM4EKMT2AMAPT
SCHEMBL4514286 0.81 MAPK14 (0.69) MAPK14ALDH1A1KDM4ELMNA
SCHEMBL4498032 0.79 MAPK14 (0.53) MAPK14NPBWR1MAOBRXFP1BACE1
SCHEMBL4522980 0.79 MAPK14 (0.67) MAPK14MAOBRXFP1ALDH1A1TP53
SCHEMBL4513655 0.78 MAPK14 (0.42) MAPK14RXFP1KDM4EKMT2AMAPT

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 4 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
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 MAPK14 117/4885NPBWR1 2132/4885MAOB 81/4885

“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.