SCHEMBL22987707

SCHEMBL22987707

CCn1cc(-c2nc3c4cccc(F)c4nc(Cl)n3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.39
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HSP90AB1 P08238 1/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.33
PDK2 Q15119 1/20 0.33
ADORA2B P29275 2/20 0.32
ACSS2 Q9NR19 1/20 0.32
JAK2 O60674 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
SCHEMBL30393330 0.89 HSP90AB1 (0.45) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22988102 0.89 HSP90AB1 (0.45) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987611 0.88 ADORA3 (0.38) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987770 0.87 ADORA3 (0.39) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987463 0.86 ADORA3 (0.39) ADORA3ADORA2AADORA1PDE10ATP53
SCHEMBL22988090 0.85 HSP90AB1 (0.45) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22988260 0.83 ABCB1 (0.35) ADORA3ADORA2AADORA1PDE10ATP53
SCHEMBL22979918 0.82 ADORA3 (0.48) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL30393593 0.80 MAPT (0.42) PDE10AKDM4EALDH1A1LMNAMAPT
SCHEMBL22988024 0.78 TP53 (0.46) ADORA3ADORA2AADORA1PDE10AMAPT

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
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.