SCHEMBL3523950

SCHEMBL3523950

Cc1nc(OCc2ccc(F)cc2)c(Br)c(=O)n1Cc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2C9 P11712 5/20 0.43
TSHR P16473 4/20 0.43
USP2 O75604 3/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.42
CYP2C19 P33261 5/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 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
SCHEMBL3518538 0.87 PKM (0.52) MAPK14CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3519673 0.87 MAPK14 (0.45) MAPK14CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3521110 0.86 MAPK14 (0.55) MAPK14
SCHEMBL3526497 0.86 MAPK14 (0.41) MAPK14POLB
SCHEMBL3524281 0.85 MAPK14 (0.37) MAPK14ALDH1A1PKMNPSR1HIF1A
SCHEMBL14577968 0.83 MAPK14 (0.60) MAPK14
SCHEMBL3525586 0.82 MAPK14 (0.47) MAPK14CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL4379281 0.80 MAPK14 (0.71) MAPK14
SCHEMBL3525471 0.80 CYP3A4 (0.43) MAPK14CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3521216 0.78 MAPK14 (0.52) MAPK14CYP1A2CYP3A4CYP2C9ALDH1A1

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 38/4885CYP1A2 895/4885CYP3A4 1939/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885CYP1A2 873/4885CYP3A4 1680/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885CYP1A2 895/4885CYP3A4 1939/4885

“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.