SCHEMBL4522980

SCHEMBL4522980

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.67
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAOB P27338 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
SCHEMBL4512116 0.91 MAPK14 (0.54) MAPK14GRIN1GRIN2BMEN1NPC1
SCHEMBL4498032 0.89 MAPK14 (0.53) MAPK14GRIN1GRIN2BMEN1NPC1
SCHEMBL4511623 0.89 MAPK14 (0.64) MAPK14RXFP1MAOB
SCHEMBL4513311 0.86 MAPK14 (0.66) MAPK14
SCHEMBL4518177 0.84 GRIN1 (0.48) MAPK14GRIN1GRIN2BMEN1NPC1
SCHEMBL4514286 0.83 MAPK14 (0.69) MAPK14ALDH1A1
SCHEMBL4382919 0.80 MAPK14 (1.00) MAPK14
SCHEMBL4512896 0.79 MAPK14 (0.52) MAPK14GRIN1GRIN2BMEN1NPC1
SCHEMBL4511768 0.78 MAPK14 (0.60) MAPK14ALDH1A1
SCHEMBL4522569 0.76 MAPK14 (0.52) MAPK14MEN1KMT2A

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 3 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

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.