SCHEMBL3521140

SCHEMBL3521140

CC(=O)C(c1ccc2[nH]ccc2c1)n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.43
MAPK11 Q15759 3/20 0.43
MAOB P27338 1/20 0.35
CYP19A1 P11511 2/20 0.34
PTGER1 P34995 1/20 0.34
NEK2 P51955 1/20 0.33
NEK5 Q6P3R8 1/20 0.33
NEK1 Q96PY6 1/20 0.33
PLK2 Q9NYY3 1/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL4377790 0.86 MAPK14 (0.42) MAPK14MAOBPTGER1MAPKAPK2
SCHEMBL3523254 0.77 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL6509277 0.76 MAPK14 (0.45) MAPK14MAPKAPK2
SCHEMBL5208575 0.76 MAPK14 (0.53) MAPK14MAPK11MAOB
SCHEMBL6507019 0.72 MAPK14 (0.52) MAPK14MAPKAPK2
SCHEMBL3522025 0.66 MAPK14 (0.56) MAPK14MAPK11MAOBPTGER1
SCHEMBL4381783 0.66 MAPK14 (0.64) MAPK14
SCHEMBL4377999 0.66 MAPK14 (0.54) MAPK14
SCHEMBL3521135 0.66 MAPK14 (0.44) MAPK14MAPK11MAOB
SCHEMBL5204556 0.66 MAPK14 (0.47) MAPK14MAPK11MAOBMAPKAPK2

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 8 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
CN-1968937-A Pyrimidin-4-one derivatives and their use as P38 kinase modulators PHARMACIA CORP (US) 2007-05-23 CN 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 38/4885MAPK11 43/4885MAOB 1718/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPK11 48/4885MAOB 1814/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885MAOB 1718/4885

“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.