SCHEMBL22979216

SCHEMBL22979216

O=C1NCCCC[C@H]1Nc1nc2c(Br)cccc2c2nc(-c3cnn(C(F)F)c3)nn12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.33
ADORA1 P30542 5/20 0.33
MKNK1 Q9BUB5 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ADORA3 P0DMS8 4/20 0.30
ADORA2B P29275 3/20 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
SCHEMBL22988474 0.93 ADORA2A (0.34) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL22978964 0.90 ADORA2A (0.36) ADORA2AADORA1HDAC1HDAC8HDAC6
SCHEMBL22979320 0.89 SYK (0.30)
SCHEMBL29646475 0.89 ADORA1 (0.37) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL22979037 0.89 ADORA1 (0.37) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL29648566 0.89 ADORA1 (0.37) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL22979210 0.89 ADORA1 (0.37) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL22979782 0.89 JAK2 (0.33) ADORA2AADORA1MKNK1MKNK2
SCHEMBL25118922 0.89 JAK2 (0.33) ADORA2AADORA1MKNK1MKNK2
SCHEMBL29645830 0.89 JAK2 (0.33) ADORA2AADORA1MKNK1MKNK2

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 6 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 claimed
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
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 ADORA2A 103/4885ADORA1 21/4885MKNK1 2220/4885

“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.