SCHEMBL22987534

SCHEMBL22987534

COc1ccc(-c2nc3c4cc(Br)cc(Br)c4nc(Cl)n3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.48
ADORA1 P30542 5/20 0.47
ADORA2A P29274 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
XDH P47989 1/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KDR P35968 1/20 0.39

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
SCHEMBL22979677 0.85 KDM4E (0.50) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL22987540 0.85 TP53 (0.42) ADORA3ADORA1ADORA2AXDHTP53
SCHEMBL22988063 0.83 ADORA3 (0.56) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL22987546 0.81 ADORA3 (0.56) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL30393867 0.78 MAPT (0.49) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL22987549 0.78 ADORA3 (0.70) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL22988147 0.78 KDM4E (0.52) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL22987536 0.77 AMY1A (0.44) ADORA3KDM4EALDH1A1TP53MAPT
SCHEMBL22987515 0.77 AXL (0.37) ADORA3ADORA1ADORA2AKDR
SCHEMBL22988145 0.77 ADORA3 (0.60) 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 ADORA3 34/4885ADORA1 21/4885ADORA2A 103/4885

“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.