SCHEMBL3520139

SCHEMBL3520139

Cc1nc(OC(CCN)c2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
GRIN1 Q05586 9/20 0.36
GRIN2B Q13224 9/20 0.36
GNRHR P30968 1/20 0.36
PKM P14618 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4473103 0.86 MAPK14 (0.50) MAPK14NPSR1
SCHEMBL3522901 0.79 MAPK14 (0.54) MAPK14
SCHEMBL3518538 0.76 PKM (0.52) MAPK14GRIN1GRIN2BPKMNPSR1
SCHEMBL3525752 0.72 MAPK14 (0.44) MAPK14GRIN1GRIN2BNPSR1ALDH1A1
SCHEMBL3521716 0.70 MAPK14 (0.48) MAPK14GRIN1GRIN2BPKM
SCHEMBL3522323 0.70 CYP3A4 (0.45) MAPK14GRIN1GRIN2BPKMNPSR1
SCHEMBL3523746 0.69 MAPK14 (0.71) MAPK14
SCHEMBL3522590 0.68 MAPK14 (0.56) MAPK14
SCHEMBL3521110 0.68 MAPK14 (0.55) MAPK14
SCHEMBL4381130 0.67 MAPK14 (0.72) 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 7 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
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 38/4885GRIN1 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.