SCHEMBL22988066

SCHEMBL22988066

Cn1cc(-c2nc3c4cccc(C5CC5)c4nc(Cl)n3n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.38
ADORA2A P29274 6/20 0.38
ADORA1 P30542 5/20 0.38
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.34
PIK3CD O00329 1/20 0.34
PDE10A Q9Y233 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
SCD O00767 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
HIPK1 Q86Z02 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
HIPK3 Q9H422 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL30393118 0.88 PROKR1 (0.33) ADORA3ADORA2AADORA1BRD4CREBBP
SCHEMBL22987815 0.88 PROKR1 (0.33) ADORA3ADORA2AADORA1BRD4CREBBP
SCHEMBL22979975 0.85 HSP90AB1 (0.42) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL22987424 0.84 ADORA3 (0.40) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL22987463 0.84 ADORA3 (0.39) ADORA3ADORA2AADORA1BRD4PIK3CD
SCHEMBL22979176 0.84 ADORA3 (0.39) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL22987841 0.83 ADORA3 (0.36) ADORA3ADORA2AADORA1BRD4CREBBP
SCHEMBL22978982 0.82 ADORA3 (0.38) ADORA3ADORA2AADORA1BRD4IRAK4
SCHEMBL22987792 0.82 HSP90AB1 (0.43) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL22987639 0.82 ADORA3 (0.38) ADORA3ADORA2AADORA1BRD4IRAK4

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 2 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
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 34/4885ADORA2A 103/4885ADORA1 21/4885

“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.