SCHEMBL22979095

SCHEMBL22979095

COc1ccc(-c2nc3c4c(Br)cccc4nc(N[C@@H]4CCCCNC4=O)n3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGDS O60760 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ADORA1 P30542 2/20 0.39
ADORA2A P29274 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ADORA3 P0DMS8 5/20 0.37
POLB P06746 1/20 0.37
XDH P47989 1/20 0.36
SYK P43405 3/20 0.36
ZAP70 P43403 2/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
SCN9A Q15858 1/20 0.34

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
SCHEMBL29646394 1.00 ALDH1A1 (0.41) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL29648764 0.91 ADORA1 (0.42) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL22979167 0.91 ADORA1 (0.42) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL22979858 0.91 ALDH1A1 (0.43) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL29648733 0.91 ALDH1A1 (0.43) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL29648598 0.90 ALDH1A1 (0.41) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL22979277 0.90 ALDH1A1 (0.41) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL22979361 0.90 ALDH1A1 (0.41) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL29648632 0.90 ALDH1A1 (0.41) ALDH1A1HPGDSKDM4EADORA1ADORA2A
SCHEMBL22979154 0.89 ADORA2A (0.41) ALDH1A1KDM4EADORA1ADORA2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO claimed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 ALDH1A1 597/4885HPGDS 517/4885KDM4E 1364/4885

“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.