SCHEMBL22979849

SCHEMBL22979849

CCn1cc(-c2nc3c4cccc(Cl)c4nc(N[C@@H]4CCCCNC4=O)n3n2)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.34
ADORA1 P30542 11/20 0.34
ADORA3 P0DMS8 10/20 0.33
ADORA2B P29275 8/20 0.33
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TNF P01375 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
LITAF Q99732 1/20 0.31
HSP90AB1 P08238 1/20 0.31
RAB9A P51151 1/20 0.31
ZAP70 P43403 1/20 0.30
SYK P43405 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
SCHEMBL29648773 1.00 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22988475 0.92 ADORA2A (0.35) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22978983 0.91 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22979348 0.90 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL29648786 0.90 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22980877 0.90 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22988432 0.90 ADORA2A (0.33) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL29648628 0.90 ADORA2A (0.33) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22988214 0.90 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29648715 0.90 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2B

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 ADORA2A 103/4885ADORA1 21/4885ADORA3 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.