SCHEMBL3523258

SCHEMBL3523258

Cc1nc(NCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.50
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
DCTPP1 Q9H773 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
VNN1 O95497 1/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
POLB P06746 1/20 0.37
GPR6 P46095 2/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL3527236 0.93 MAPK14 (0.45) MAPK14FNTAFNTBVNN1GPR6
SCHEMBL3522226 0.91 MAPK14 (0.51) MAPK14FNTAFNTBKDM4EALDH1A1
SCHEMBL4380849 0.83 MAPK14 (0.58) MAPK14FNTAFNTBKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4489690 0.77 MAPK14 (0.52) MAPK14FNTAFNTBKDM4EALDH1A1
SCHEMBL3523357 0.76 MAPK14 (0.43) MAPK14POLB
SCHEMBL3527823 0.75 MAPK14 (0.53) MAPK14
SCHEMBL3525647 0.75 MAPK14 (0.71) MAPK14FNTAFNTB
SCHEMBL29594334 0.74 MAPK14 (0.59) MAPK14KDM4EALDH1A1HSD17B10VNN1
SCHEMBL4387481 0.74 MAPK14 (0.59) MAPK14KDM4EALDH1A1HSD17B10VNN1
SCHEMBL13686775 0.73 FNTA (0.54) MAPK14FNTAFNTBDCTPP1KDM4E

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 38/4885FNTA 3560/4885FNTB 3509/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885FNTA 3035/4885FNTB 2766/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885FNTA 3560/4885FNTB 3509/4885

“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.