SCHEMBL22979332

SCHEMBL22979332

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.33
CRHR1 P34998 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
IDO1 P14902 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
SCN9A Q15858 1/20 0.32
PDE4D Q08499 1/20 0.31

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
SCHEMBL22988170 1.00 ADORA3 (0.33) ADORA3CRHR1SMN1; SMN2TP53GAA
SCHEMBL22979333 1.00 ADORA3 (0.33) ADORA3CRHR1SMN1; SMN2TP53GAA
SCHEMBL29646086 1.00 ADORA3 (0.33) ADORA3CRHR1SMN1; SMN2TP53GAA
SCHEMBL29645640 0.94 ADORA3 (0.33) ADORA3CRHR1TP53GAAIDO1
SCHEMBL29645801 0.94 ADORA3 (0.33) ADORA3CRHR1TP53GAAIDO1
SCHEMBL22979194 0.94 ADORA3 (0.33) ADORA3CRHR1TP53GAAIDO1
SCHEMBL22979929 0.94 ADORA3 (0.33) ADORA3CRHR1TP53GAAIDO1
SCHEMBL22979192 0.94 ADORA3 (0.33) ADORA3CRHR1TP53GAAIDO1
SCHEMBL22988401 0.93 POLB (0.36) ADORA3CRHR1TP53GAAADORA2A
SCHEMBL22988400 0.93 POLB (0.36) ADORA3CRHR1TP53GAAADORA2A

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 34/4885CRHR1 896/4885SMN1; SMN2 4234/4885

“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.