SCHEMBL22987472

SCHEMBL22987472

Cn1cc(-c2nc3c4c(C(F)(F)F)cccc4nc(Cl)n3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
ADORA3 P0DMS8 3/20 0.36
P2RX7 Q99572 2/20 0.35
IRAK1 P51617 2/20 0.34
EPHX2 P34913 1/20 0.34
ADORA2A P29274 2/20 0.33
PLA2G7 Q13093 1/20 0.33
KCNT1 Q5JUK3 1/20 0.33
ADORA1 P30542 1/20 0.33
SCD O00767 1/20 0.33
NPBWR1 P48145 1/20 0.33
CLK2 P49760 1/20 0.33
LRRK2 Q5S007 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PDK2 Q15119 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GRM2 Q14416 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
SCHEMBL22987558 0.86 HSP90AB1 (0.41) PDE10AADORA3IRAK1EPHX2ADORA2A
SCHEMBL22987489 0.85 ADORA3 (0.48) ADORA3EPHX2ADORA2AADORA1IRAK4
SCHEMBL22987482 0.84 ADORA3 (0.38) PDE10AADORA3EPHX2ADORA2AADORA1
SCHEMBL22978982 0.84 ADORA3 (0.38) ADORA3P2RX7IRAK1ADORA2APLA2G7
SCHEMBL29646424 0.84 ADORA3 (0.38) ADORA3P2RX7IRAK1ADORA2APLA2G7
SCHEMBL22987454 0.84 ADORA3 (0.38) PDE10AADORA3IRAK1EPHX2ADORA2A
SCHEMBL22987473 0.81 NR1H2 (0.42) PDE10AADORA3ADORA2AADORA1
SCHEMBL22987841 0.81 ADORA3 (0.36) PDE10AADORA3IRAK1EPHX2ADORA2A
SCHEMBL22988032 0.81 CNR1 (0.39) ADORA3
SCHEMBL22987474 0.80 ADORA3 (0.43) PDE10AADORA3ADORA2AADORA1

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 PDE10A 2410/4885ADORA3 34/4885P2RX7 76/4885

“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.