SCHEMBL3525752

SCHEMBL3525752

Cc1nc(NCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.44
GRIN1 Q05586 7/20 0.41
GRIN2B Q13224 7/20 0.41
ALDH1A1 P00352 2/20 0.41
P2RX7 Q99572 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3523357 0.89 MAPK14 (0.43) MAPK14P2RX7
SCHEMBL4390072 0.84 MAPK14 (0.48) MAPK14GRIN1GRIN2BALDH1A1NPSR1
SCHEMBL3522901 0.81 MAPK14 (0.54) MAPK14
SCHEMBL3522323 0.75 CYP3A4 (0.45) MAPK14GRIN1GRIN2BALDH1A1LMNA
SCHEMBL3520310 0.75 MAPK14 (0.53) MAPK14
SCHEMBL3521462 0.75 MAPT (0.46) MAPK14ALDH1A1LMNASMN1; SMN2HIF1A
SCHEMBL4381130 0.75 MAPK14 (0.72) MAPK14
SCHEMBL13635537 0.74 MAPK14 (0.44) MAPK14GRIN1GRIN2B
SCHEMBL3521716 0.74 MAPK14 (0.48) MAPK14GRIN1GRIN2BHIF1A
SCHEMBL3522226 0.72 MAPK14 (0.51) MAPK14GRIN1GRIN2BALDH1A1

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 38/4885GRIN1 964/4885GRIN2B 1381/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885GRIN1 884/4885GRIN2B 1469/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885GRIN1 964/4885GRIN2B 1381/4885

“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.