SCHEMBL3521114

SCHEMBL3521114

Cc1ccc(C(=O)O)cc1-n1c(C)nc(OCc2ccc(F)cc2F)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
MAPK11 Q15759 4/20 0.51
ROCK2 O75116 1/20 0.51
MAPK12 P53778 1/20 0.51
STRADA Q7RTN6 1/20 0.51
PTGER1 P34995 3/20 0.49
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
MAOB P27338 1/20 0.44
ALKBH1 Q13686 1/20 0.43

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
SCHEMBL3523581 0.92 MAPK14 (0.51) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3524202 0.90 MAPK14 (0.59) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3526249 0.90 MAPK14 (0.49) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3520153 0.85 MAPK14 (0.45) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3521080 0.84 MAPK14 (0.55) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3520717 0.84 MAPK14 (0.57) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4374549 0.83 MAPK14 (0.58) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5264914 0.83 MAPK14 (0.58) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3520783 0.83 MAPK14 (0.60) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3521563 0.81 MAPK14 (0.55) MAPK14MAPK11ROCK2MAPK12STRADA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
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-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 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-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 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-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 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 38/4885MAPK11 43/4885ROCK2 443/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPK11 48/4885ROCK2 409/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885ROCK2 443/4885

“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.