SCHEMBL22987639

SCHEMBL22987639

CN(C)c1cccc2c1nc(Cl)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.38
ADORA2A P29274 6/20 0.38
ADORA1 P30542 5/20 0.38
KDM1A O60341 1/20 0.38
BRD4 O60885 1/20 0.35
TTK P33981 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
LATS1 O95835 1/20 0.32
LCK P06239 1/20 0.32
BTK Q06187 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
SCHEMBL30393108 1.00 ADORA3 (0.38) ADORA3ADORA2AADORA1KDM1ABRD4
SCHEMBL22979975 0.86 HSP90AB1 (0.42) ADORA3ADORA2AADORA1BRD4TTK
SCHEMBL22987424 0.85 ADORA3 (0.40) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL22979176 0.84 ADORA3 (0.39) ADORA3ADORA2AADORA1KDM1ABRD4
SCHEMBL22987463 0.84 ADORA3 (0.39) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL22987792 0.83 HSP90AB1 (0.43) ADORA3ADORA2AADORA1
SCHEMBL22978982 0.83 ADORA3 (0.38) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL29646424 0.83 ADORA3 (0.38) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL22988066 0.82 ADORA3 (0.38) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL22987741 0.82 PIK3CD (0.41) ADORA3ADORA2AADORA1BRD4

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.