SCHEMBL22987841

SCHEMBL22987841

Cn1cc(-c2nc3c4c(C5CC5)cccc4nc(Cl)n3n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.36
CREBBP Q92793 3/20 0.34
EPHX2 P34913 1/20 0.34
IRAK1 P51617 8/20 0.34
IRAK4 Q9NWZ3 7/20 0.34
PIK3CD O00329 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PDE10A Q9Y233 2/20 0.33
TNF P01375 1/20 0.33
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
BRD4 O60885 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
SCHEMBL22987489 0.85 ADORA3 (0.48) ADORA3EPHX2IRAK4ADORA2AADORA1
SCHEMBL22987482 0.84 ADORA3 (0.38) ADORA3EPHX2IRAK4ADORA2AADORA1
SCHEMBL22987454 0.84 ADORA3 (0.38) ADORA3EPHX2IRAK1IRAK4ADORA2A
SCHEMBL22987558 0.84 HSP90AB1 (0.41) ADORA3EPHX2IRAK1IRAK4PIK3CD
SCHEMBL22988066 0.83 ADORA3 (0.38) ADORA3CREBBPIRAK1IRAK4PIK3CD
SCHEMBL22988032 0.81 CNR1 (0.39) ADORA3PIK3CD
SCHEMBL22987840 0.81 ADORA3 (0.43) ADORA3ADORA2AADORA1
SCHEMBL22987472 0.81 PDE10A (0.39) ADORA3EPHX2IRAK1IRAK4ADORA2A
SCHEMBL22987839 0.80 PDE10A (0.39) ADORA3PDE10A
SCHEMBL22978978 0.78 ADORA3 (0.49) ADORA3ADORA2AADORA1BRD4

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 34/4885CREBBP 2500/4885EPHX2 635/4885

“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.