SCHEMBL2588876

SCHEMBL2588876

O=c1[nH]c(=S)[nH]c2ccsc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 1/20 0.52
PDPK1 O15530 2/20 0.46
DAO P14920 1/20 0.44
KDM4E B2RXH2 3/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
PKM P14618 3/20 0.39
GAA P10253 1/20 0.39
BRPF1 P55201 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
PSMB8 P28062 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL189932 0.79 PDPK1 (0.48) ALDH1A1PDPK1DAOKDM4ETSHR
SCHEMBL988816 0.70 PDPK1 (0.50) ALDH1A1PDPK1DAOKDM4ETSHR
SCHEMBL13558618 0.69 PARP1 (0.53) ALDH1A1MEN1KMT2AMAPK1PDPK1
Piperidine SCHEMBL9045041 0.68 PDPK1 (0.39) PDPK1DAOKDM4ETSHRHTT
SCHEMBL3233768 0.68 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPK1DAO
SCHEMBL20630920 0.68 PDPK1 (0.50) ALDH1A1MEN1KMT2AMAPK1PDPK1
SCHEMBL6299913 0.67 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17109319 0.67 PARP1 (0.55) ALDH1A1MEN1KMT2APDPK1DAO
SCHEMBL1285397 0.64 PDPK1 (0.46) ALDH1A1PDPK1DAOMAPTTSHR
SCHEMBL20631258 0.64 PARP1 (0.64) ALDH1A1MEN1KMT2AMAPK1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224257-B1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM IND CO LTD (KR) 2019-10-16 EP disclosed
EP-3224257-B1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM IND CO LTD (KR) 2019-10-16 EP disclosed
US-10160770-B2 Method for preparing thienopyrimidine compound and intermediates used therein HANMI PHARM. CO., LTD. (KR) 2018-12-25 US disclosed
US-20180312521-A1 METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2018-11-01 US disclosed
US-10040801-B2 Method for preparing thienopyrimidine compound and intermediates used therein HANMI PHARM. CO., LTD. (KR) 2018-08-07 US disclosed
US-10040801-B2 Method for preparing thienopyrimidine compound and intermediates used therein HANMI PHARM. CO., LTD. (KR) 2018-08-07 US disclosed
US-10040801-B2 Method for preparing thienopyrimidine compound and intermediates used therein HANMI PHARM. CO., LTD. (KR) 2018-08-07 US disclosed
US-20170369504-A1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2017-12-28 US disclosed
US-20170369504-A1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2017-12-28 US disclosed
EP-3224257-A1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN Hanmi Pharm. Co., Ltd. (KR) 2017-10-04 EP disclosed
US-20070155762-A1 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 anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC 2007-07-05 US 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-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-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
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-20040097525-A1 For therapy of atheroscelerosis SMITHKLINE BEECHAM PLC 2004-05-20 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-20020103213-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2002-08-01 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 (8 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-20180312521-A1 METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN TK1, ERBB2, ABL1 ALDH1A1 1019/4885MEN1 2011/4885KMT2A 2584/4885
US-10160770-B2 Method for preparing thienopyrimidine compound and intermediates used therein TK1, ERBB2, ABL1 ALDH1A1 1019/4885MEN1 2011/4885KMT2A 2584/4885
US-20070155762-A1 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 anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 ALDH1A1 1423/4885MEN1 2990/4885KMT2A 3374/4885
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 ALDH1A1 664/4885MEN1 3518/4885KMT2A 2745/4885
US-20170369504-A1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN ERBB2, ERBB4, ABL1 ALDH1A1 1412/4885MEN1 2735/4885KMT2A 2459/4885
US-10040801-B2 Method for preparing thienopyrimidine compound and intermediates used therein ERBB2, ABL1, TK1 ALDH1A1 1146/4885MEN1 2259/4885KMT2A 2495/4885
US-20040097525-A1 For therapy of atheroscelerosis LYPLA2, LOXL2, LYPLA1 ALDH1A1 623/4885MEN1 2497/4885KMT2A 2375/4885
US-20020103213-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, ENPP2, LYPLA2 ALDH1A1 732/4885MEN1 2496/4885KMT2A 2598/4885

“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.