SCHEMBL22979245

SCHEMBL22979245

COc1ccc(-c2nc3c4cccc(C)c4nc(N[C@@H]4CCCCNC4=O)n3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
XDH P47989 1/20 0.41
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
ADORA3 P0DMS8 6/20 0.38
SYK P43405 3/20 0.38
ZAP70 P43403 2/20 0.38
HPGDS O60760 1/20 0.37
SCN9A Q15858 1/20 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
SCHEMBL29648574 1.00 KDM4E (0.44) KDM4EALDH1A1POLBXDHTNKS
SCHEMBL29648692 1.00 KDM4E (0.44) KDM4EALDH1A1POLBXDHTNKS
SCHEMBL22979943 1.00 KDM4E (0.44) KDM4EALDH1A1POLBXDHTNKS
SCHEMBL29648728 0.92 SYK (0.46) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL29648635 0.92 SYK (0.46) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL22979962 0.92 SYK (0.46) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL22979510 0.92 SYK (0.46) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL22988243 0.92 KDM4E (0.44) KDM4EALDH1A1POLBXDHTNKS
SCHEMBL22981055 0.91 KDM4E (0.43) KDM4EALDH1A1POLBXDHADORA1
SCHEMBL22979371 0.91 KDM4E (0.43) KDM4EALDH1A1POLBXDHADORA1

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 KDM4E 1364/4885ALDH1A1 597/4885POLB 4033/4885

“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.