SCHEMBL3522975

SCHEMBL3522975

Cc1cc(C(O)CO)ccc1-n1c(C)nc(OCc2ccc(F)cc2F)c(Br)c1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.48
ROCK2 O75116 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
STRADA Q7RTN6 1/20 0.42

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
SCHEMBL3518721 0.90 MAPK14 (0.49) MAPK14MAPK11
SCHEMBL3522045 0.87 MAPK14 (0.53) MAPK14
SCHEMBL4375881 0.84 MAPK14 (0.67) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593453 0.84 MAPK14 (0.67) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL5269042 0.83 MAPK14 (0.59) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3526705 0.83 MAPK14 (0.48) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL5357907 0.82 MAPK14 (0.59) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3524264 0.80 MAPK14 (0.53) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3523620 0.79 MAPK14 (0.50) MAPK14
SCHEMBL3518726 0.79 MAPK14 (0.52) 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 5 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
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (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.