SCHEMBL659694

SCHEMBL659694

Fc1ccc2ncsc2c1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
TGFBR1 P36897 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL659672 0.78 DYRK1A (0.36) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL657782 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL20855206 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL30002369 0.76 P2RX7 (0.36) ALDH1A1HSD17B10NPC1RAB9ATGFBR1
SCHEMBL6068320 0.76 CCNE1 (0.37) ALDH1A1HSD17B10NPC1RAB9ATGFBR1
SCHEMBL23884995 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL2722669 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL19435515 0.72 PTK6 (0.38) ALDH1A1NPC1RAB9AKDM4E
SCHEMBL659590 0.72 NPC1 (0.31) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL6972765 0.71 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159405-B Pyridopyrimidinone compounds and application thereof 广州必贝特医药技术有限公司 2021-09-14 CN disclosed
CN-112159405-A Pyridopyrimidinone compounds and application thereof 广州必贝特医药技术有限公司 2021-01-01 CN disclosed
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 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 (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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 ALDH1A1 490/4885HSD17B10 2309/4885NPC1 976/4885

“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.