SCHEMBL3536080

SCHEMBL3536080

CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.59
JUN P05412 2/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 4/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CYP2C9 P11712 2/20 0.49

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
SCHEMBL23574436 0.89 ALDH1A1 (0.59) FOSJUNNFKB1NFKB2RELA
SCHEMBL5118532 0.88 ALDH1A1 (0.55) FOSJUNNFKB1NFKB2RELA
SCHEMBL6017125 0.88 FOS (0.61) FOSJUNNFKB1NFKB2RELA
SCHEMBL8395412 0.87 FOS (0.60) FOSJUNNFKB1NFKB2RELA
SCHEMBL1549657 0.87 KDM4E (0.62) FOSJUNNFKB1NFKB2RELA
SCHEMBL4951430 0.86 CYP1A2 (0.64) FOSJUNNFKB1NFKB2RELA
SCHEMBL6872795 0.85 ALDH1A1 (0.62) FOSJUNNFKB1NFKB2RELA
SCHEMBL2087835 0.84 ALDH1A1 (0.74) FOSJUNNFKB1NFKB2RELA
SCHEMBL5120286 0.83 ALDH1A1 (0.53) FOSJUNNFKB1NFKB2RELA
SCHEMBL8394846 0.83 FOS (0.67) FOSJUNNFKB1NFKB2RELA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266841-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-02-23 US disclosed
US-20150045375-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2015-02-12 US disclosed
US-8871775-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-20120172378-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 US disclosed
US-7652019-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC (GB) 2010-01-26 US disclosed
US-7638520-B2 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2009-12-29 US disclosed
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds SMITHKLINE BEECHAM P.L.C. 2009-07-02 US disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC 2007-05-31 US disclosed
US-7153861-B2 For therapy of atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-26 US disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
EP-1686119-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-02 EP disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP 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
US-6649619-B1 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl) benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimeth ylenepyrimidin-4-one or salt; lipoprotein-associated phospholipase A inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-11-18 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
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 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 (5 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-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds PLA2G4A, PLA2G4B, PLA2G1B FOS 3168/4885JUN 4406/4885NFKB1 1516/4885
US-20150045375-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B FOS 2763/4885JUN 4531/4885NFKB1 1562/4885
US-20120172378-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B FOS 2763/4885JUN 4531/4885NFKB1 1562/4885
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis PLA2G7, PLAT, PLA2G1B FOS 3455/4885JUN 3399/4885NFKB1 883/4885
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B FOS 3168/4885JUN 4406/4885NFKB1 1516/4885

“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.