SCHEMBL3522006

SCHEMBL3522006

CC(=O)N1CCc2cc(-n3c(C)nc(OCc4ccc(F)cc4F)c(Cl)c3=O)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
MAPK11 Q15759 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
RORC P51449 1/20 0.39
KCNK3 O14649 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL3518939 0.97 MAPK14 (0.42) MAPK14MAPK11GABRG2GABRB3GABRA5
SCHEMBL3526257 0.93 MAPK14 (0.43) MAPK14MAPK11GABRG2GABRB3GABRA5
SCHEMBL3518549 0.93 MAPK14 (0.44) MAPK14MAPK11MAPKAPK2
SCHEMBL3523569 0.92 MAPK14 (0.42) MAPK14MAPK11MAPKAPK2
SCHEMBL3520571 0.91 MAPK14 (0.42) MAPK14MAPK11GABRG2GABRB3GABRA5
SCHEMBL3520861 0.91 MAPK14 (0.40) MAPK14MAPK11MAPKAPK2
SCHEMBL3526966 0.91 MAPK14 (0.43) MAPK14MAPK11MAPKAPK2
SCHEMBL3522819 0.90 MAPK14 (0.44) MAPK14MAPK11MAPKAPK2
SCHEMBL3522815 0.89 MAPK14 (0.39) MAPK14MAPK11MAPKAPK2
SCHEMBL3521119 0.89 MAPK14 (0.42) MAPK14MAPK11MAPKAPK2

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 38/4885MAPK11 43/4885GABRG2 3575/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPK11 48/4885GABRG2 3820/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885GABRG2 3575/4885

“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.