SCHEMBL30393264

SCHEMBL30393264

Cc1nn(C)cc1-c1nc2c3cccc(Cl)c3nc(Cl)n2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.43
ADORA2A P29274 7/20 0.43
ADORA1 P30542 6/20 0.43
HSP90AB1 P08238 1/20 0.40
NR4A2 P43354 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PARP1 P09874 1/20 0.34
ADORA2B P29275 3/20 0.33
PDE10A Q9Y233 1/20 0.33
XDH P47989 1/20 0.33
COMT P21964 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL22987816 1.00 ADORA3 (0.43) ADORA3ADORA2AADORA1HSP90AB1NR4A2
SCHEMBL22988254 0.88 ADORA3 (0.42) ADORA3ADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL22987632 0.86 ADORA3 (0.40) ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL22988101 0.85 HSP90AB1 (0.42) ADORA3ADORA2AADORA1HSP90AB1NR4A2
SCHEMBL30392927 0.85 HSP90AB1 (0.42) ADORA3ADORA2AADORA1HSP90AB1NR4A2
SCHEMBL22979975 0.79 HSP90AB1 (0.42) ADORA3ADORA2AADORA1HSP90AB1NR4A2
SCHEMBL29645906 0.78 ADORA3 (0.36) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL22987714 0.77 XDH (0.47) ADORA3ALDH1A1XDH
SCHEMBL31149946 0.76 ADORA3 (0.35) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL22987758 0.74 ALDH1A1 (0.40) ADORA3ADORA2AADORA1HSP90AB1ALDH1A1

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 1 patent. 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

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 34/4885ADORA2A 103/4885ADORA1 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.