SCHEMBL22988034

SCHEMBL22988034

COc1ccc(-c2nc3c4c(Cl)cccc4nc(Cl)n3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
ADORA3 P0DMS8 11/20 0.52
ADORA1 P30542 6/20 0.47
ADORA2A P29274 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
STAT3 P40763 1/20 0.41
EGFR P00533 1/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL22987559 0.89 ADORA3 (0.47) MAOBADORA3ADORA1ADORA2AKDM4E
SCHEMBL22987867 0.89 ADORA3 (0.47) MAOBADORA3ADORA1ADORA2AKDM4E
SCHEMBL22987455 0.88 ADORA3 (0.46) MAOBADORA3ADORA1ADORA2AKDM4E
SCHEMBL22988030 0.85 ADORA3 (0.43) MAOBADORA3ADORA1ADORA2AKDM4E
SCHEMBL22987474 0.85 ADORA3 (0.43) MAOBADORA3ADORA1ADORA2AKDM4E
SCHEMBL22987840 0.84 ADORA3 (0.43) MAOBADORA3ADORA1ADORA2AKDM4E
SCHEMBL22987491 0.84 ADORA3 (0.52) ADORA3ADORA1ADORA2APOLBMAPT
SCHEMBL22979778 0.83 KMT2A (0.44) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL29646315 0.83 KMT2A (0.44) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL22979306 0.82 ADORA3 (0.65) ADORA3ADORA1ADORA2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 521/4885ADORA3 34/4885ADORA1 21/4885

“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.