SCHEMBL3518538

SCHEMBL3518538

Cc1nc(OCc2ccc(F)cc2)c(Br)c(=O)n1Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.52
MAPK14 Q16539 3/20 0.52
ALDH1A1 P00352 5/20 0.47
HIF1A Q16665 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45
PRKDC P78527 1/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3522901 0.88 MAPK14 (0.54) MAPK14
SCHEMBL3523950 0.87 MAPK14 (0.51) PKMMAPK14ALDH1A1HIF1ANPSR1
SCHEMBL4373618 0.82 MAPK14 (0.70) PKMMAPK14
SCHEMBL3519673 0.82 MAPK14 (0.45) PKMMAPK14ALDH1A1HIF1ACYP1A2
SCHEMBL3522323 0.81 CYP3A4 (0.45) PKMMAPK14ALDH1A1HIF1ANPSR1
SCHEMBL3525586 0.81 MAPK14 (0.47) MAPK14ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL3522063 0.80 PKM (0.53) PKMMAPK14ALDH1A1HIF1ANPSR1
SCHEMBL14577968 0.77 MAPK14 (0.60) MAPK14
SCHEMBL3521716 0.76 MAPK14 (0.48) PKMMAPK14HIF1AGRIN1GRIN2B
SCHEMBL3520139 0.76 MAPK14 (0.38) PKMMAPK14ALDH1A1NPSR1GRIN1

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 PKM 994/4885MAPK14 38/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PKM 1090/4885MAPK14 29/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PKM 994/4885MAPK14 38/4885ALDH1A1 874/4885

“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.