SCHEMBL4850658

SCHEMBL4850658

Cc1nc(N2CCOCC2)sc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.61
PIK3CA P42336 4/20 0.61
PIK3CB P42338 4/20 0.61
AR P10275 5/20 0.58
SMN1; SMN2 Q16637 7/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 2/20 0.45
PIK3CG P48736 3/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL28339173 0.82 ALDH1A1 (0.53) PIK3CDPIK3CAPIK3CBARSMN1; SMN2
SCHEMBL31082099 0.81 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBARSMN1; SMN2
SCHEMBL16561758 0.81 AR (0.55) PIK3CDPIK3CAPIK3CBARSMN1; SMN2
SCHEMBL4852520 0.80 ALDH1A1 (0.61) PIK3CDPIK3CAPIK3CBSMN1; SMN2MAPT
SCHEMBL25933223 0.79 AR (0.59) PIK3CDPIK3CAPIK3CBARSMN1; SMN2
SCHEMBL12219870 0.79 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBARSMN1; SMN2
SCHEMBL28003504 0.79 AR (0.52) PIK3CDPIK3CAPIK3CBARSMN1; SMN2
SCHEMBL15349299 0.78 AR (0.51) PIK3CDPIK3CAPIK3CBARSMN1; SMN2
SCHEMBL25932800 0.78 ALDH1A1 (0.71) PIK3CDPIK3CAPIK3CBARSMN1; SMN2
SCHEMBL28317825 0.78 AR (0.51) PIK3CDPIK3CAPIK3CBARSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US disclosed
US-20170247395-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2017-08-31 US disclosed
US-9688695-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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 (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-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CD 18/4885PIK3CA 5/4885PIK3CB 19/4885
US-20170247395-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, TMPRSS4, F2R PIK3CD 2326/4885PIK3CA 1420/4885PIK3CB 2696/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PIK3CD 3657/4885PIK3CA 3697/4885PIK3CB 3696/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 PIK3CD 3756/4885PIK3CA 3331/4885PIK3CB 3256/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CD 19/4885PIK3CA 5/4885PIK3CB 18/4885

“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.