SCHEMBL22987585

SCHEMBL22987585

Clc1nc2ccccc2c2nc(-c3cnccn3)nn12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.44
ADORA1 P30542 2/20 0.44
MAPT P10636 4/20 0.43
THRB P10828 2/20 0.43
RXFP1 Q9HBX9 2/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.39
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL22979023 0.78 ADORA3 (0.69) ADORA3ADORA1MAPTTHRBPOLB
SCHEMBL29646414 0.78 ADORA3 (0.69) ADORA3ADORA1MAPTTHRBPOLB
SCHEMBL22987556 0.78 RXFP1 (0.43) ADORA3ADORA1MAPTTHRBRXFP1
SCHEMBL22979760 0.76 ADORA3 (0.46) ADORA3ADORA1MAPTPOLB
SCHEMBL30393803 0.76 NPC1 (0.56) ADORA3ADORA1MAPTRXFP1METAP2
SCHEMBL22979328 0.75 ADORA3 (0.45) ADORA3ADORA1MAPTTHRBPOLB
SCHEMBL22988172 0.75 DHODH (0.43) ADORA3ADORA1MAPTTHRBRXFP1
SCHEMBL22987673 0.74 ADORA3 (0.50) ADORA3ADORA1MAPTTHRBRXFP1
SCHEMBL22987589 0.74 ADORA3 (0.46) ADORA3ADORA1MAPTPOLBTP53
SCHEMBL22987398 0.74 HPGD (0.51) ADORA3ADORA1MAPTTHRBCYP3A4

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.