SCHEMBL3523151

SCHEMBL3523151

O=c1c(Br)c(OCc2ccc(F)cc2F)ncn1Cc1ccc2[nH]ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.48
CYP11B2 P19099 1/20 0.45
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
DRD4 P21917 2/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL4480072 0.86 MAPK14 (0.67) MAPK14
SCHEMBL5321824 0.84 MAPK14 (0.49) MAPK14
SCHEMBL3518775 0.82 MAPK14 (0.69) MAPK14
SCHEMBL3522196 0.81 MAPK14 (0.53) MAPK14
SCHEMBL3519562 0.80 MAPK14 (0.47) MAPK14
SCHEMBL13602969 0.79 MAPK14 (0.67) MAPK14
Trifluoroacetic Acid SCHEMBL3521325 0.79 MAPK14 (0.45) MAPK14
SCHEMBL3522008 0.79 MAPK14 (0.50) MAPK14
SCHEMBL3525047 0.79 MAPK14 (0.49) MAPK14
SCHEMBL3523659 0.79 MAPK14 (0.61) MAPK14

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 38/4885CYP11B2 513/4885ROCK2 443/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885CYP11B2 300/4885ROCK2 409/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885CYP11B2 513/4885ROCK2 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.