SCHEMBL3522335

SCHEMBL3522335

COc1ccc(C(=O)O)cc1-n1c(C)nc(OCc2ccc(F)cc2F)c(Br)c1=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.61
ROCK2 O75116 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
STRADA Q7RTN6 1/20 0.50
PTGER1 P34995 2/20 0.49

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
SCHEMBL3521593 0.91 MAPK14 (0.58) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3520916 0.91 MAPK14 (0.75) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3525661 0.91 MAPK14 (0.62) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3520783 0.90 MAPK14 (0.60) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL5267813 0.89 MAPK14 (0.51) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3520644 0.89 MAPK14 (0.60) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL5269042 0.89 MAPK14 (0.59) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL5264619 0.87 MAPK14 (0.51) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3522743 0.86 MAPK14 (0.58) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4376585 0.85 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ROCK2 443/4885MAPK12 42/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885ROCK2 409/4885MAPK12 49/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ROCK2 443/4885MAPK12 42/4885

“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.