SCHEMBL22987901

SCHEMBL22987901

CC(C)n1cc(-c2nc3c4ccccc4nc(Cl)n3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.46
ADORA1 P30542 2/20 0.46
MAPT P10636 7/20 0.43
POLB P06746 1/20 0.42
THRB P10828 2/20 0.41
ADORA2A P29274 1/20 0.39

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
SCHEMBL22978978 0.84 ADORA3 (0.49) ADORA3ADORA1MAPTPOLBADORA2A
SCHEMBL30393857 0.84 HSP90AB1 (0.40) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22988264 0.84 HSP90AB1 (0.40) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL29450041 0.83 MAOB (0.34) ADORA3MAPTTHRBADORA2A
SCHEMBL22988260 0.82 ABCB1 (0.35) ADORA3ADORA1THRBADORA2A
SCHEMBL22988085 0.82 ADORA3 (0.33) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22979918 0.81 ADORA3 (0.48) ADORA3ADORA1MAPTPOLBADORA2A
SCHEMBL22987810 0.81 ADORA2A (0.32) ADORA3ADORA1ADORA2A
SCHEMBL22987630 0.81 PDK2 (0.36) ADORA3ADORA1ADORA2A
SCHEMBL30393354 0.81 ADORA2A (0.32) ADORA3ADORA1ADORA2A

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.