SCHEMBL22988045

SCHEMBL22988045

Clc1nc2ccccc2c2nc(-c3ccsc3)nn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.51
ADORA1 P30542 2/20 0.51
MAPT P10636 5/20 0.45
GBA1 P04062 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL29646414 0.84 ADORA3 (0.69) ADORA3ADORA1MAPTMEN1GAA
SCHEMBL22979023 0.84 ADORA3 (0.69) ADORA3ADORA1MAPTMEN1GAA
SCHEMBL29646432 0.81 ADORA3 (0.64) ADORA3ADORA1MAPTMEN1GAA
SCHEMBL22979578 0.81 ADORA3 (0.64) ADORA3ADORA1MAPTMEN1GAA
SCHEMBL22987662 0.80 ADORA3 (0.46) ADORA3ADORA1MAPTPOLB
SCHEMBL22988043 0.79 ADORA3 (0.51) ADORA3ADORA1MAPTPOLBTP53
SCHEMBL22979754 0.78 ADORA3 (0.61) ADORA3ADORA1MAPTMEN1GAA
SCHEMBL22979475 0.78 ADORA3 (0.64) ADORA3ADORA1MAPTHTTPOLB
SCHEMBL29646504 0.78 ADORA3 (0.64) ADORA3ADORA1MAPTHTTPOLB
SCHEMBL29646319 0.78 ADORA3 (0.61) ADORA3ADORA1MAPTMEN1GAA

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 34/4885ADORA1 21/4885MAPT 4047/4885

“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.