SCHEMBL4512586

SCHEMBL4512586

COc1cc(Cn2c(C)cc(OCc3ccccc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)c(Cl)c2=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.46
MAPK12 P53778 5/20 0.42
MAPK11 Q15759 4/20 0.42
MAPK13 O15264 3/20 0.42
HCK P08631 2/20 0.40
SRC P12931 1/20 0.40
ITGA4 P13612 1/20 0.38
BRAF P15056 3/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
BCR P11274 1/20 0.38
FGFR1 P11362 1/20 0.38
EPHA1 P21709 1/20 0.38
EPHA2 P29317 1/20 0.38
ABL2 P42684 1/20 0.38
FRK P42685 1/20 0.38

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
SCHEMBL4516789 0.95 MAPK14 (0.45) MAPK14MAPK12MAPK11MAPK13HCK
SCHEMBL4522868 0.95 MAPK14 (0.43) MAPK14MAPK12MAPK11MAPK13BRAF
SCHEMBL4520888 0.94 MAPK14 (0.44) MAPK14MAPK12MAPK11MAPK13HCK
SCHEMBL4507328 0.90 MAPK14 (0.49) MAPK14MAPK12MAPK11MAPK13HCK
SCHEMBL4512853 0.90 MAPK14 (0.49) MAPK14MAPK12MAPK11MAPK13HCK
SCHEMBL4511381 0.89 MAPK14 (0.48) MAPK14MAPK12MAPK11MAPK13HCK
SCHEMBL4505994 0.89 MAPK14 (0.46) MAPK14MAPK12MAPK11MAPK13BRAF
SCHEMBL4498388 0.88 MAPK14 (0.50) MAPK14MAPK12MAPK11MAPK13HCK
SCHEMBL4498136 0.88 MAPK14 (0.43) MAPK14MAPK12MAPK11MAPK13BRAF
SCHEMBL4511493 0.87 MAPK14 (0.47) MAPK14MAPK12MAPK11MAPK13HCK

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 1 patent. 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

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 117/4885MAPK12 178/4885MAPK11 404/4885

“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.