SCHEMBL22979759

SCHEMBL22979759

COc1ccc2nc(N[C@@H]3CCCCNC3=O)n3nc(-c4ccccc4F)nc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHEK2 O96017 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ZAP70 P43403 2/20 0.36
SYK P43405 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 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
SCHEMBL29648542 1.00 HPGDS (0.39) HPGDSKDM4ECHEK2ALDH1A1ADORA2A
SCHEMBL29648645 0.91 THRB (0.41) HPGDSKDM4EALDH1A1ADORA2AADORA1
SCHEMBL22981005 0.91 THRB (0.41) HPGDSKDM4EALDH1A1ADORA2AADORA1
SCHEMBL31149956 0.90 MKNK1 (0.37) ADORA2AADORA1MKNK1MKNK2
SCHEMBL22979151 0.90 MKNK1 (0.37) ADORA2AADORA1MKNK1MKNK2
SCHEMBL22988329 0.88 GBA1 (0.44) ADORA2AADORA1MAPTMKNK1MKNK2
SCHEMBL30393088 0.88 GBA1 (0.44) ADORA2AADORA1MAPTMKNK1MKNK2
SCHEMBL22980959 0.87 SCN9A (0.42) HPGDSKDM4EALDH1A1ADORA2AADORA1
SCHEMBL29648642 0.87 SCN9A (0.42) HPGDSKDM4EALDH1A1ADORA2AADORA1
SCHEMBL22979485 0.87 HPGDS (0.44) HPGDSKDM4EALDH1A1ADORA2AADORA1

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 HPGDS 517/4885KDM4E 1364/4885CHEK2 1078/4885

“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.