SCHEMBL4520797

SCHEMBL4520797

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
DDR2 Q16832 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
TRPV1 Q8NER1 5/20 0.38
ABL1 P00519 1/20 0.38
KIT P10721 1/20 0.38
PTGS1 P23219 1/20 0.38
NTRK1 P04629 1/20 0.37

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
SCHEMBL4520800 1.00 MAPK14 (0.46) MAPK14DDR2CYP1A2CYP2D6CYP2C19
SCHEMBL4497925 0.90 MAPK14 (0.48) MAPK14DDR2GRNSORT1
SCHEMBL4521030 0.89 MAPK14 (0.49) MAPK14DDR2GRNSORT1TRPV1
SCHEMBL4521041 0.89 MAPK14 (0.49) MAPK14DDR2GRNSORT1TRPV1
SCHEMBL4521385 0.88 MAPK14 (0.48) MAPK14DDR2GRNSORT1ABL1
SCHEMBL4521378 0.88 MAPK14 (0.48) MAPK14DDR2GRNSORT1ABL1
SCHEMBL4504911 0.85 MAPK14 (0.45) MAPK14GRNSORT1PTGS1
SCHEMBL4513085 0.85 MEN1 (0.38) MAPK14DDR2PTGS1
SCHEMBL4513082 0.85 MEN1 (0.38) MAPK14DDR2PTGS1
SCHEMBL14300702 0.77 GRN (0.49) MAPK14GRNSORT1TRPV1

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 2602/4885CYP1A2 120/4885

“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.