SCHEMBL3542039

SCHEMBL3542039

O=Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ S1PR1 P21453 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ COMT P21964 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MAP4K4 O95819 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
SCHEMBL3619089 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1NPC1MAPTRAB9A
SCHEMBL2271123 0.79 KDM1A (0.49) KIF11ALDH1A1POLBL3MBTL1COMT
SCHEMBL508261 0.78 KCNH2 (0.42) KIF11ALDH1A1L3MBTL1SCN2A
SCHEMBL2268468 0.77 KIF11 (0.56) KIF11CA1CA2
SCHEMBL12613371 0.76 SRD5A2 (0.52) KIF11COMTCES2CES1HDAC1
SCHEMBL12538059 0.76 TRPV3 (0.44) KIF11S1PR1S1PR3COMTLMNA
SCHEMBL3538039 0.76 HSD17B10 (0.52) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL19531542 0.76 CYP2A6 (0.52) ALDH1A1POLBL3MBTL1NPC1MAPT
SCHEMBL4480260 0.76 TRPV1 (0.50) KIF11ALDH1A1S1PR1NPC1MAPT
SCHEMBL5280182 0.76 LMNA (0.50) KIF11ALDH1A1POLBS1PR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107759522-B Carboxylic acid derivative, preparation method thereof and application thereof in medicine 浙江海正药业股份有限公司 2023-04-14 — — CN disclosed
US-9266841-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-02-23 — — US disclosed
US-9169216-B2 Method for preparation of 5-substituted pyrimidines REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-10-27 — — US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 — — US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 — — US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 — — US disclosed
CN-103261165-B Glucagon receptor modulators PFIZER INC. (US) 2015-08-26 — — CN disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 — — US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 — — US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 — — US disclosed
US-7153861-B2 For therapy of atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-26 — — US disclosed
CN-1875002-A Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE (CH) 2006-12-06 — — CN disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — 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
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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 (2 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B KIF11 4808/4885ALDH1A1 505/4885POLB 636/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 KIF11 4048/4885ALDH1A1 2684/4885POLB 4739/4885

“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.

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