SCHEMBL3521755

SCHEMBL3521755

N#Cc1cnc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 2/20 0.49
GALR3 O60755 1/20 0.49
GAA P10253 1/20 0.49
NPY5R Q15761 1/20 0.49
SCN2A Q99250 1/20 0.49
PIN1 Q13526 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
COMT P21964 1/20 0.46
MAPK1 P28482 1/20 0.45
MCL1 Q07820 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL3519224 0.84 NPY5R (0.57) HPGDNPY5R
SCHEMBL11633622 0.80 HPGD (0.53) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL11627315 0.79 KDM4E (0.63) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL11624684 0.79 SCN2A (0.59) ALDH1A1KDM4EGAANPY5RSCN2A
SCHEMBL11629965 0.78 GUCY1B2 (0.48) HPGDALDH1A1KDM4EGALR3GAA
SCHEMBL11629754 0.78 GUSB (0.48) HPGDALDH1A1KDM4EGALR3GAA
SCHEMBL11629253 0.78 PTGES (0.44) HPGDALDH1A1CYP1A2CYP2C9KDM4E
SCHEMBL11018954 0.77 KDM4E (0.67) RECQLHPGDALDH1A1KDM4EGALR3
SCHEMBL4356391 0.75 SCN2A (0.55) RECQLHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL28868937 0.75 RECQL (0.60) RECQLHPGDALDH1A1NPY5RSCN2A

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 9 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
CN-1968937-A Pyrimidin-4-one derivatives and their use as P38 kinase modulators PHARMACIA CORP (US) 2007-05-23 CN 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
US-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 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 RECQL 721/4885HPGD 418/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 RECQL 1164/4885HPGD 442/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 RECQL 721/4885HPGD 418/4885ALDH1A1 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.