SCHEMBL22987771

SCHEMBL22987771

Clc1nc2c(Br)cccc2c2nc(-c3cnn(CC4CCC4)c3)nn12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.36
ADORA3 P0DMS8 4/20 0.36
ADORA2A P29274 3/20 0.35
CYP1B1 Q16678 2/20 0.33
AKT1 P31749 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PIM1 P11309 3/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
PDK2 Q15119 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ADORA1 P30542 2/20 0.31
ADORA2B P29275 1/20 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
SCHEMBL22987761 0.96 PIK3CD (0.35) GRM2ADORA3ADORA2APIK3CDPIK3CA
SCHEMBL22988227 0.86 PDK2 (0.36) GRM2ADORA3ADORA2APDK2LRRK2
SCHEMBL22987770 0.85 ADORA3 (0.39) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL22987760 0.84 CLK2 (0.34) ADORA3ADORA2APIM1PIM3PIM2
SCHEMBL22988151 0.82 GRM2 (0.38) GRM2ADORA3ADORA2APIK3CDPIK3CA
SCHEMBL22979176 0.81 ADORA3 (0.39) ADORA3ADORA2AADORA1
SCHEMBL22987407 0.79 GABRP (0.40) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29645716 0.79 ADORA3 (0.32) GRM2ADORA3ADORA2ALRRK2ADORA1
SCHEMBL22979440 0.78 RPS6KA3 (0.33) ADORA3ADORA2APIM1LRRK2ADORA1
SCHEMBL31150114 0.78 ADORA3 (0.33) ADORA3ADORA2APIM1

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 GRM2 2922/4885ADORA3 34/4885ADORA2A 103/4885

“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.