SCHEMBL4521030

SCHEMBL4521030

CC(C)(C)c1cc(N(C(=O)O)c2ccc([N+](=O)[O-])cc2)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.49
DDR2 Q16832 3/20 0.49
TRPV1 Q8NER1 9/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
MAPK9 P45984 1/20 0.39
ABL1 P00519 1/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL4521041 1.00 MAPK14 (0.49) MAPK14DDR2TRPV1MAPK13MAPK12
SCHEMBL4497925 0.91 MAPK14 (0.48) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL4520797 0.89 MAPK14 (0.46) MAPK14DDR2TRPV1GRNSORT1
SCHEMBL4520800 0.89 MAPK14 (0.46) MAPK14DDR2TRPV1GRNSORT1
SCHEMBL4521385 0.89 MAPK14 (0.48) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL4521378 0.89 MAPK14 (0.48) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL4504911 0.86 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL4513085 0.78 MEN1 (0.38) MAPK14DDR2
SCHEMBL4513082 0.78 MEN1 (0.38) MAPK14DDR2
SCHEMBL2688133 0.78 MAPK14 (0.51) MAPK14DDR2TRPV1MAPK13MAPK12

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
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP 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 117/4885DDR2 2602/4885TRPV1 3436/4885

“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.