SCHEMBL22987455

SCHEMBL22987455

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.46
ADORA1 P30542 5/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
STAT3 P40763 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 2/20 0.39
XDH P47989 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
SCHEMBL22988034 0.88 MAOB (0.52) ADORA3ADORA1KDM4EALDH1A1POLB
SCHEMBL22987559 0.87 ADORA3 (0.47) ADORA3ADORA1KDM4EALDH1A1POLB
SCHEMBL22987867 0.87 ADORA3 (0.47) ADORA3ADORA1KDM4EALDH1A1POLB
SCHEMBL22988035 0.84 ADORA3 (0.41) ADORA3ADORA1MAPTSMN1; SMN2TP53
SCHEMBL22988030 0.83 ADORA3 (0.43) ADORA3ADORA1KDM4EALDH1A1POLB
SCHEMBL22987474 0.83 ADORA3 (0.43) ADORA3ADORA1KDM4EALDH1A1POLB
SCHEMBL22987840 0.82 ADORA3 (0.43) ADORA3ADORA1KDM4EALDH1A1POLB
SCHEMBL22979778 0.81 KMT2A (0.44) ADORA3ADORA1KDM4EALDH1A1POLB
SCHEMBL29646315 0.81 KMT2A (0.44) ADORA3ADORA1KDM4EALDH1A1POLB
SCHEMBL22979677 0.81 KDM4E (0.50) ADORA3ADORA1KDM4EALDH1A1POLB

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 21/4885KDM4E 1364/4885

“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.