SCHEMBL22979167

SCHEMBL22979167

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGDS O60760 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
POLB P06746 1/20 0.38
XDH P47989 1/20 0.37
SYK P43405 3/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
ZAP70 P43403 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL29648764 1.00 ADORA1 (0.42) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL22979555 0.92 SYK (0.44) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL31149900 0.92 SYK (0.44) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL22979350 0.92 SYK (0.44) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL29648790 0.92 SYK (0.44) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL29648733 0.92 ALDH1A1 (0.43) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL22979858 0.92 ALDH1A1 (0.43) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL22979095 0.91 ALDH1A1 (0.41) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL22979361 0.91 ALDH1A1 (0.41) ADORA1ADORA2AALDH1A1HPGDSKDM4E
SCHEMBL22979277 0.91 ALDH1A1 (0.41) ADORA1ADORA2AALDH1A1HPGDSKDM4E

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 4 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
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 ADORA1 21/4885ADORA2A 103/4885ALDH1A1 597/4885

“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.