SCHEMBL22987792

SCHEMBL22987792

COc1cccc2c1nc(Cl)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.43
ADORA2A P29274 12/20 0.42
ADORA1 P30542 2/20 0.42
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
MAP4K1 Q92918 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
FGFR1 P11362 1/20 0.38
ADORA2B P29275 1/20 0.38
PLAU P00749 1/20 0.38

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
SCHEMBL22987764 0.87 ADORA2A (0.41) HSP90AB1ADORA2AFGFR1ADORA2B
SCHEMBL22979975 0.86 HSP90AB1 (0.42) HSP90AB1ADORA2AADORA1ADORA3
SCHEMBL22988090 0.86 HSP90AB1 (0.45) HSP90AB1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL22987424 0.85 ADORA3 (0.40) HSP90AB1ADORA2AADORA1ADORA3
SCHEMBL22988018 0.85 ADORA2A (0.42) HSP90AB1ADORA2AFGFR1ADORA2B
SCHEMBL22987463 0.84 ADORA3 (0.39) ADORA2AADORA1MAP4K1ADORA3
SCHEMBL22979176 0.84 ADORA3 (0.39) ADORA2AADORA1ADORA3
SCHEMBL22987639 0.83 ADORA3 (0.38) ADORA2AADORA1ADORA3
SCHEMBL22978982 0.83 ADORA3 (0.38) ADORA2AADORA1ADORA3
SCHEMBL29646424 0.83 ADORA3 (0.38) ADORA2AADORA1ADORA3

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 HSP90AB1 2893/4885ADORA2A 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.