SCHEMBL22979396

SCHEMBL22979396

CC(C)n1cc(-c2nc3c4cccc(C5CC5)c4nc(N[C@@H]4CCCCNC4=O)n3n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.34
ADORA1 P30542 6/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ADORA3 P0DMS8 5/20 0.32
ADORA2B P29275 4/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
MKNK1 Q9BUB5 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
RAB9A P51151 1/20 0.31
SCN9A Q15858 1/20 0.31
FLT3 P36888 2/20 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
SCHEMBL22980928 0.91 ADORA2A (0.37) ADORA2AADORA1LRRK2ADORA3ADORA2B
SCHEMBL29648550 0.91 ADORA2A (0.37) ADORA2AADORA1LRRK2ADORA3ADORA2B
SCHEMBL22988474 0.91 ADORA2A (0.34) ADORA2AADORA1JAK2JAK1TYK2
SCHEMBL22979811 0.91 ADORA2A (0.34) ADORA2AADORA1JAK2JAK1TYK2
SCHEMBL22988431 0.91 ADORA2A (0.34) ADORA2AADORA1JAK2JAK1TYK2
SCHEMBL22979325 0.90 JAK2 (0.34) ADORA2AADORA1JAK2JAK1TYK2
SCHEMBL22980186 0.89 ADORA2A (0.34) ADORA2AADORA1JAK2JAK1TYK2
SCHEMBL29648772 0.89 ADORA2A (0.34) ADORA2AADORA1JAK2JAK1TYK2
SCHEMBL22979193 0.89 ADORA2A (0.34) ADORA2AADORA1JAK2JAK1TYK2
SCHEMBL22979704 0.89 ADORA2A (0.35) ADORA2AADORA1JAK2JAK1TYK2

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 21/4885JAK2 94/4885

“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.