SCHEMBL1933239

SCHEMBL1933239

O=C(O)Nc1cncnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.59
HCAR2 Q8TDS4 1/20 0.48
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
NAMPT P43490 5/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
FPR2 P25090 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
LCK P06239 2/20 0.35
KIT P10721 2/20 0.35
SRC P12931 2/20 0.35
MAPK14 Q16539 2/20 0.35
KDR P35968 1/20 0.35
ABL1 P00519 1/20 0.35
MDM2 Q00987 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1431302 0.78 BCAT2 (0.52) BCAT2HCAR2NPC1NAMPTALDH1A1
SCHEMBL3262016 0.78 TDP1 (0.52) BCAT2HCAR2NPC1RAB9APKM
SCHEMBL22735150 0.78 BCAT2 (0.52) BCAT2HCAR2NAMPTALDH1A1DRD2
SCHEMBL2192000 0.78 GRM5 (0.58)
SCHEMBL27810413 0.76 BCAT2 (0.46) BCAT2HCAR2NPC1RAB9APKM
SCHEMBL28222587 0.76 SMN1; SMN2 (0.68) BCAT2NPC1RAB9APKMMDM2
SCHEMBL30482354 0.75 BCAT2 (0.35) BCAT2NPC1RAB9APKMNAMPT
SCHEMBL20379716 0.75 NPC1 (0.46) BCAT2NPC1RAB9ANAMPTALDH1A1
SCHEMBL28152116 0.75 SMN1; SMN2 (0.50) BCAT2HCAR2NPC1RAB9AKDM4E
SCHEMBL17037048 0.75 BCAT2 (0.48) BCAT2HCAR2NPC1RAB9ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
EP-3484894-B1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
WO-2020149723-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2020-07-23 WO claimed
EP-0054866-B1 OXADIAZOLOPYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING SUCH AN OXADIAZOLOPYRIMIDINE DERIVATIVE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-08-07 EP claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 US disclosed
EP-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed
EP-2509602-B1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-01-25 EP disclosed
CN-103396399-B Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same DAIICHI SANKYO CO LTD 2015-04-29 CN disclosed
EP-2509602-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-10-17 EP disclosed
WO-2011068667-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
EP-0054866-B1 OXADIAZOLOPYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING SUCH AN OXADIAZOLOPYRIMIDINE DERIVATIVE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-08-07 EP 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-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL BCAT2 2305/4885HCAR2 2655/4885NPC1 1900/4885

“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.