SCHEMBL3525433

SCHEMBL3525433

NC(=O)Cn1cnc(OCc2ccccc2)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
MAPK14 Q16539 1/20 0.43
PARP10 Q53GL7 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MCHR1 Q99705 1/20 0.39
MAPT P10636 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
ALKBH1 Q13686 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3523384 0.89 PKM (0.46) PKMMAPK14RAB9ANPC1TP53
SCHEMBL3521688 0.87 PKM (0.47) PKMMAPK14RAB9ANPC1TP53
SCHEMBL3521393 0.82 MAPK14 (0.58) PKMMAPK14TSHRKMT2AHTT
SCHEMBL1367127 0.81 MCHR1 (0.52) RAB9ANPC1TSHRMAPK1MCHR1
SCHEMBL3524283 0.81 PKM (0.51) PKMMAPK14RAB9ANPC1TSHR
SCHEMBL1365032 0.80 MCHR1 (0.51) RAB9ANPC1MAPK1MCHR1MAPT
SCHEMBL4489978 0.77 MAPK14 (0.68) MAPK14MCHR1
SCHEMBL3522830 0.76 MAPK14 (0.52) PKMMAPK14TSHRMAPK1MCHR1
SCHEMBL1366936 0.76 MCHR1 (0.47) PKMMAPK14TSHRMCHR1KMT2A
SCHEMBL1367631 0.76 MCHR1 (0.55) MCHR1ALDH1A1

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 38/4885PARP10 877/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PKM 1090/4885MAPK14 29/4885PARP10 925/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PKM 994/4885MAPK14 38/4885PARP10 877/4885

“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.