SCHEMBL3520768

SCHEMBL3520768

N#Cc1ccccc1Cn1cnc(OCc2ccccc2)c(Br)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
MAPK14 Q16539 3/20 0.44
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.39
DPP4 P27487 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DAPK1 P53355 1/20 0.38
NPBWR1 P48145 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
MAOB P27338 1/20 0.37
CYP3A4 P08684 1/20 0.37
EGLN3 Q9H6Z9 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
SCHEMBL3518955 0.84 MAPK14 (0.53) TP53MAPK14KMT2AALDH1A1MAPT
SCHEMBL3524527 0.83 MAPK14 (0.60) MAPK14KMT2AALDH1A1SMN1; SMN2DAPK1
SCHEMBL3520113 0.83 MMP13 (0.52) MAPK14FNTAFNTBPGGT1BCYP19A1
SCHEMBL3526903 0.83 ALDH1A1 (0.48) TP53MAPK14ALDH1A1SMN1; SMN2DAPK1
SCHEMBL3521512 0.83 MAPK14 (0.46) MAPK14ALDH1A1SMN1; SMN2DAPK1
SCHEMBL3527233 0.83 MAPK14 (0.61) TP53MAPK14
SCHEMBL3522000 0.81 RXFP1 (0.46) MAPK14CYP19A1ALDH1A1DAPK1HSD17B13
SCHEMBL4383558 0.81 MAPK14 (0.70) MAPK14FNTAFNTBPGGT1BALDH1A1
SCHEMBL3522684 0.80 ALDH1A1 (0.48) MAPK14ALDH1A1SMN1; SMN2DAPK1NPBWR1
SCHEMBL3522476 0.80 SQOR (0.39) MAPK14FNTAFNTBPGGT1BMAPT

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 TP53 867/4885MAPK14 38/4885FNTA 3560/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 TP53 1755/4885MAPK14 29/4885FNTA 3035/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 TP53 867/4885MAPK14 38/4885FNTA 3560/4885

“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.