SCHEMBL4498211

SCHEMBL4498211

COC(=O)c1ccc(C)c(-n2c(SC)nc(OCc3ccc(F)cc3C#N)cc2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.45
MAPK11 Q15759 4/20 0.38
ROCK2 O75116 1/20 0.38
MAPK12 P53778 1/20 0.38
STRADA Q7RTN6 1/20 0.38
ALDH1A1 P00352 1/20 0.35
OPRK1 P41145 1/20 0.34
APLNR P35414 2/20 0.34

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
SCHEMBL13678571 0.92 KDM5A (0.38) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3521563 0.89 MAPK14 (0.55) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4504739 0.87 MAPK14 (0.46) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4982763 0.85 MAPK14 (0.50) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4512780 0.85 MAPK14 (0.50) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4381139 0.82 MAPK14 (0.46) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3526249 0.81 MAPK14 (0.49) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4510193 0.80 OPRK1 (0.40) MAPK14ALDH1A1OPRK1APLNR
SCHEMBL3524202 0.80 MAPK14 (0.59) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL13678570 0.77 MAPK14 (0.42) MAPK14MAPK11ROCK2MAPK12STRADA

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 117/4885MAPK11 404/4885ROCK2 276/4885

“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.