SCHEMBL3428650

SCHEMBL3428650

NCc1nc2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
MAPT P10636 2/20 0.65
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HPGD P15428 2/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
THRB P10828 1/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
PDE7A Q13946 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL3424745 0.90 PDE10A (0.62) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL1484185 0.90 ALDH1A1 (0.66) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL451250 0.86 ALDH1A1 (0.76) RAB9AALDH1A1MEN1KMT2ALMNA
SCHEMBL8245641 0.84 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4394259 0.84 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL8242227 0.84 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL16346179 0.81 NPC1 (0.67) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL28451012 0.81 MEN1 (0.78) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL21323255 0.81 NPC1 (0.76) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL15179081 0.81 NPC1 (0.67) NPC1RAB9AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN claimed
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP claimed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP claimed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO claimed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO claimed
US-10906907-B2 Tert-butyl (s)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate precursor of a quinazolinone inhibitor of human phosphatidylinositol 3-kinase delta and a process for preparing thereof ICOS CORPORATION (US) 2021-02-02 US disclosed
US-10336756-B2 (S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one precursor of a quinazolinone as inhibitor of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-07-02 US disclosed
CN-1918128-B fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD 2011-01-26 CN disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 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-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 NPC1 635/4885RAB9A 1073/4885MAPT 4613/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 NPC1 890/4885RAB9A 944/4885MAPT 4548/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 NPC1 872/4885RAB9A 986/4885MAPT 4546/4885
US-10336756-B2 (S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one precursor of a quinazolinone as inhibitor of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA NPC1 3280/4885RAB9A 582/4885MAPT 4691/4885
US-10906907-B2 Tert-butyl (s)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate precursor of a quinazolinone inhibitor of human phosphatidylinositol 3-kinase delta and a process for preparing thereof PIK3CD, PIK3CA, PIK3CB NPC1 3228/4885RAB9A 672/4885MAPT 4218/4885

“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.