SCHEMBL1644064

SCHEMBL1644064

CC(=O)c1ccc2nccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
KLK7 P49862 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL30134133 1.00 NPC1 (0.54) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL30134094 0.84 SLC2A1 (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL27293915 0.83 MAPT (0.56) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6531550 0.81 MAPT (0.54) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL193423 0.81 MAPT (0.59) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL27465286 0.81 MAPT (0.50) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL30390410 0.81 MAPT (0.59) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3388615 0.81 TGFBR1 (0.67) SMN1; SMN2MAPTMEN1KMT2ATGFBR1
SCHEMBL31068028 0.79 HPGD (0.53) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
Lithium Ion SCHEMBL31133341 0.79 MAPT (0.57) NPC1RAB9AALDH1A1HPGDSMN1; 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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115604-A1 SULFOXIMINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2025-04-10 US disclosed
US-12187741-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2025-01-07 US disclosed
US-12157734-B2 Sulfoximine glycosidase inhibitors ASCENEURON SA (CH) 2024-12-03 US disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
EP-3480193-B1 PYRAZOLE DERIVATIVES AS ALK5 INHIBITORS AND USES THEREOF HANMI PHARMACEUTICAL CO LTD (KR) 2024-05-29 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
WO-2024039250-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LIMITED (NZ) 2024-02-22 WO disclosed
CN-110770226-B Sulfoximine glycosidase inhibitors 阿森纽荣股份公司 2023-11-10 CN disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 US disclosed
EP-1909788-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2008-04-16 EP disclosed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
EP-1751130-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
WO-2007016525-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2007-02-08 WO disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 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 (9 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-12157734-B2 Sulfoximine glycosidase inhibitors ENGASE, BACE1, GAA NPC1 2614/4885RAB9A 1707/4885ALDH1A1 862/4885
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 NPC1 2680/4885RAB9A 924/4885ALDH1A1 3121/4885
US-20250115604-A1 SULFOXIMINE GLYCOSIDASE INHIBITORS ENGASE, BACE1, GAA NPC1 2286/4885RAB9A 1641/4885ALDH1A1 955/4885
US-12187741-B2 Glycosidase inhibitors GAA, ENGASE, GBA3 NPC1 386/4885RAB9A 730/4885ALDH1A1 778/4885
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 NPC1 794/4885RAB9A 4410/4885ALDH1A1 893/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK NPC1 2052/4885RAB9A 981/4885ALDH1A1 1296/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 NPC1 2680/4885RAB9A 924/4885ALDH1A1 3121/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK NPC1 2052/4885RAB9A 981/4885ALDH1A1 1296/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE NPC1 300/4885RAB9A 2306/4885ALDH1A1 708/4885

“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.