SCHEMBL22987933

SCHEMBL22987933

Clc1cccc(-c2nc3c4ccccc4nc(Cl)n3n2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.47
ADORA1 P30542 2/20 0.47
MAPT P10636 4/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.45
XDH P47989 1/20 0.42
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22987398 0.92 HPGD (0.51) ADORA3ADORA1MAPTHPGDALDH1A1
SCHEMBL29646409 0.92 HPGD (0.51) ADORA3ADORA1MAPTHPGDALDH1A1
SCHEMBL22987617 0.83 NPC1 (0.58) ADORA3ADORA1MAPTHPGDALDH1A1
SCHEMBL22980067 0.83 TP53 (0.47) ADORA3ADORA1MAPT
SCHEMBL22979102 0.83 ADORA3 (0.50) ADORA3ADORA1MAPTHPGDALDH1A1
SCHEMBL29646428 0.83 ADORA3 (0.50) ADORA3ADORA1MAPTHPGDALDH1A1
SCHEMBL29646419 0.83 TP53 (0.47) ADORA3ADORA1MAPT
SCHEMBL22979023 0.81 ADORA3 (0.69) ADORA3ADORA1MAPTTHRBMEN1
SCHEMBL29646414 0.81 ADORA3 (0.69) ADORA3ADORA1MAPTTHRBMEN1
SCHEMBL22979486 0.80 CYP1A2 (0.48) ADORA3ADORA1MAPTHPGDALDH1A1

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.