SCHEMBL3521984

SCHEMBL3521984

Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.72
MAPK11 Q15759 4/20 0.72
HPGD P15428 3/20 0.51
CYP2C9 P11712 2/20 0.51
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.43
ROCK2 O75116 1/20 0.43
MAPK12 P53778 1/20 0.43
STRADA Q7RTN6 1/20 0.43
NAMPT P43490 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL3520417 1.00 MAPK14 (0.72) MAPK14MAPK11HPGDCYP2C9KMT2A
SCHEMBL5338798 0.85 MAPK14 (0.73) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3522500 0.84 MAPK14 (1.00) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3526414 0.83 MAPK14 (0.86) MAPK14MAPK11HPGDCYP2C9KMT2A
SCHEMBL3524735 0.83 MAPK14 (1.00) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3524254 0.83 MAPK14 (0.87) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3518756 0.83 MAPK14 (0.87) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5598553 0.83 MAPK14 (0.87) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3522089 0.83 MAPK14 (0.84) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL9906464 0.83 MAPK14 (0.70) 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 13 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-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 43/4885HPGD 418/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPK11 48/4885HPGD 442/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885HPGD 418/4885

“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.