SCHEMBL4425453

SCHEMBL4425453

CCOC(=O)c1cnc(C(F)(F)F)nc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 7/20 0.59
NFKB1 P19838 7/20 0.59
NFKB2 Q00653 7/20 0.59
RELA Q04206 7/20 0.59
FOS P01100 5/20 0.59
KDM4E B2RXH2 5/20 0.57
HSP90AA1 P07900 2/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL423492 0.87 JUN (0.60) JUNNFKB1NFKB2RELAFOS
SCHEMBL574247 0.87 FOS (0.54) JUNNFKB1NFKB2RELAFOS
SCHEMBL8543216 0.85 KDM4E (0.72) JUNNFKB1NFKB2RELAFOS
SCHEMBL12844275 0.84 JUN (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL3283794 0.84 JUN (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL131646 0.84 NFKB1 (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL17393706 0.84 JUN (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL30574458 0.84 NFKB1 (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL30830162 0.84 KDM4E (0.47) JUNNFKB1NFKB2RELAFOS
SCHEMBL26984535 0.84 KDM4E (0.47) JUNNFKB1NFKB2RELAFOS

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
EP-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 EP disclosed
US-20040167142-A1 Pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. 2004-08-26 US disclosed
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
US-5852028-A Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions SIGNAL PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
EP-0850228-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-07-01 EP disclosed
WO-1997009315-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO 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 (1 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-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 JUN 3646/4885NFKB1 2283/4885NFKB2 3064/4885

“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.