SCHEMBL22979372

SCHEMBL22979372

CC[C@H](Nc1nc2c(Br)cccc2c2nc(-c3ccc(Cl)cc3OC(F)F)nn12)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.34
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
CRHR1 P34998 2/20 0.33
ADORA2B P29275 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
PIP4K2A P48426 1/20 0.33
SCN9A Q15858 1/20 0.32
P2RX7 Q99572 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
SCHEMBL29645706 1.00 ADORA3 (0.34) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL29645583 1.00 ADORA3 (0.34) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL25118873 1.00 ADORA3 (0.34) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979374 1.00 ADORA3 (0.34) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979332 0.91 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1TP53
SCHEMBL22979333 0.91 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1TP53
SCHEMBL22988170 0.91 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1TP53
SCHEMBL29646086 0.91 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1TP53
SCHEMBL22988084 0.90 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979902 0.90 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1ADORA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO claimed
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.