SCHEMBL28660

SCHEMBL28660

O=C1N[C]c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
CASP3 P42574 2/20 0.38
CASP7 P55210 2/20 0.38
CASP6 P55212 2/20 0.38
CASP8 Q14790 2/20 0.38
CASP2 P42575 1/20 0.38
KMT2A Q03164 3/20 0.38
CDC25B P30305 3/20 0.38
MEN1 O00255 2/20 0.38
MAOA P21397 5/20 0.37
MAOB P27338 3/20 0.37
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36

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
SCHEMBL1551145 0.77 GSK3B (0.41) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL1450780 0.67 CA12 (0.45) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL1438260 0.67 CA12 (0.36) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL8123268 0.66 LRRK2 (0.55) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL208723 0.65 PDGFRA (0.50) GSK3BKMT2AMEN1MAOAMAOB
Phthalimide SCHEMBL30125197 0.62 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL11040503 0.62 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL29366030 0.62 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL64 0.62 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL7771670 0.62 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8

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 1174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024121013-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO claimed
EP-3558310-B1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-01-17 EP claimed
EP-3558307-B1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-05-03 EP claimed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO claimed
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 US 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
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-01-25 US claimed
EP-3558306-B1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2021-07-07 EP claimed
US-10913733-B2 Substituted piperidines thiazolyl acetamides as glycosidase inhibitors and uses thereof ALECTOS THERAPEUTICS INC. (CA) 2021-02-09 US claimed
EP-3389658-B1 GLYCOSIDASE INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-11-25 EP claimed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP claimed
EP-1409450-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-04-21 EP claimed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US claimed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO claimed
WO-2003006423-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO claimed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed
EP-0048136-B1 PROCESS FOR PREPARING ALPHA-AROMATIC GROUP SUBSTITUTED ALKANOIC ACIDS OR ESTERS THEREOF SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1986-06-11 EP claimed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds BACE1, APP, BACE2 GSK3B 1168/4885CASP3 211/4885CASP7 369/4885
US-10913733-B2 Substituted piperidines thiazolyl acetamides as glycosidase inhibitors and uses thereof OGA, ENGASE, GAA GSK3B 2319/4885CASP3 4475/4885CASP7 4683/4885
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 GSK3B 2613/4885CASP3 4503/4885CASP7 4736/4885
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM2 GSK3B 3277/4885CASP3 4499/4885CASP7 4569/4885

“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.