SCHEMBL4512116

SCHEMBL4512116

COc1ccc(Cn2c(C)cc(OCc3ccccc3C#N)c(C)c2=O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.54
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.45
MAOB P27338 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL4522980 0.91 MAPK14 (0.67) MAPK14GRIN1GRIN2BKMT2AMEN1
SCHEMBL4498032 0.91 MAPK14 (0.53) MAPK14GRIN1GRIN2BKMT2AMEN1
SCHEMBL4512896 0.88 MAPK14 (0.52) MAPK14GRIN1GRIN2BKMT2AMEN1
SCHEMBL4518177 0.85 GRIN1 (0.48) MAPK14GRIN1GRIN2BKMT2AMEN1
SCHEMBL4522569 0.85 MAPK14 (0.52) MAPK14KMT2AMEN1KDM4E
SCHEMBL4515765 0.83 MAPK14 (0.56) MAPK14KMT2AMEN1MAOBALDH1A1
SCHEMBL4565096 0.80 CD274 (0.45) MAPK14TP53RXFP1ALDH1A1LMNA
SCHEMBL4511623 0.79 MAPK14 (0.64) MAPK14MAOBRXFP1NPBWR1BACE1
SCHEMBL14434850 0.76 MAPK14 (0.49) MAPK14KMT2ATP53MAOBALDH1A1
SCHEMBL4513311 0.76 MAPK14 (0.66) MAPK14

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 117/4885GRIN1 2505/4885GRIN2B 897/4885

“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.