SCHEMBL22979352

SCHEMBL22979352

Cn1cc(-c2nc3c4cccc(S(C)(=O)=O)c4nc(N[C@@H]4CN(C(=O)O)CCNC4=O)n3n2)cn1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
ADORA3 P0DMS8 8/20 0.32
ADORA1 P30542 5/20 0.32
ADORA2A P29274 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IRAK1 P51617 2/20 0.30
ADORA2B P29275 2/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
BTK Q06187 1/20 0.30
RPLP1 P05386 1/20 0.30
RPLP0 P05388 1/20 0.30
RPS17 P08708 1/20 0.30
RPSA P08865 1/20 0.30
RPS2 P15880 1/20 0.30
RPL35A P18077 1/20 0.30
RPL7 P18124 1/20 0.30
RPL17 P18621 1/20 0.30
RPS4Y1 P22090 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
SCHEMBL29646359 0.90 JAK2 (0.33) ADORA3ADORA1ADORA2AIRAK1
SCHEMBL22987766 0.90 JAK2 (0.33) ADORA3ADORA1ADORA2AIRAK1
SCHEMBL22979734 0.89 CREBBP (0.35) BRD4CREBBPADORA3ADORA1ADORA2A
SCHEMBL22979512 0.89 ADORA3 (0.34) BRD4CREBBPADORA3ADORA1ADORA2A
SCHEMBL22979062 0.87 CREBBP (0.37) BRD4CREBBPADORA3ADORA1ADORA2A
SCHEMBL22979308 0.87 ALDH1A1 (0.38) ADORA3ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL29646119 0.87 ADORA2A (0.36) ADORA3ADORA1ADORA2AIRAK1ADORA2B
SCHEMBL22979719 0.87 ADORA2A (0.36) ADORA3ADORA1ADORA2AIRAK1ADORA2B
SCHEMBL22979177 0.86 CREBBP (0.33) BRD4CREBBPADORA3ADORA1ADORA2A
SCHEMBL22979421 0.85 ADORA3 (0.33) ADORA3ADORA1ADORA2AIRAK1ADORA2B

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 3 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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP 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 BRD4 443/4885CREBBP 2500/4885ADORA3 34/4885

“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.