SCHEMBL22987690

SCHEMBL22987690

CCn1cc(-c2nc3c4cccc(C#N)c4nc(Cl)n3n2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.35
ADORA2A P29274 6/20 0.35
ADORA1 P30542 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.34
COMT P21964 1/20 0.33
ADORA2B P29275 3/20 0.33
PDE10A Q9Y233 2/20 0.33
RET P07949 1/20 0.32
MAT2A P31153 1/20 0.31
HSP90AB1 P08238 1/20 0.31
AKT1 P31749 1/20 0.30

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
SCHEMBL30392927 0.86 HSP90AB1 (0.42) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22988101 0.86 HSP90AB1 (0.42) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987758 0.85 ALDH1A1 (0.40) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987811 0.84 ADORA3 (0.36) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL30393466 0.84 ADORA3 (0.36) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987794 0.83 KDM4E (0.43) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987615 0.83 ADORA3 (0.36) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22979953 0.80 KDM4E (0.49) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987727 0.78 TP53 (0.39) ADORA3KDM4EALDH1A1HPGDCOMT
SCHEMBL22979312 0.75 ADORA2A (0.33) ADORA3ADORA2AADORA1ADORA2B

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 34/4885ADORA2A 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.