SCHEMBL2018671

SCHEMBL2018671

Cc1ccc(CNc2nccn3c(N)nnc23)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.48
BCDIN3D Q7Z5W3 9/20 0.42
ADORA2A P29274 2/20 0.42

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
SCHEMBL12574847 0.90 ADORA3 (0.43) ADORA3ADORA2A
SCHEMBL12575120 0.88 ADORA3 (0.50) ADORA3BCDIN3DADORA2A
SCHEMBL12575013 0.86 ADORA3 (0.48) ADORA3BCDIN3DADORA2A
SCHEMBL2019917 0.83 ADORA3 (0.56) ADORA3ADORA2A
SCHEMBL2024237 0.83 MAPT (0.44) ADORA3ADORA2A
SCHEMBL12637300 0.83 ADORA3 (0.49) ADORA3ADORA2A
SCHEMBL12481449 0.82 ADORA3 (0.46) ADORA3ADORA2A
SCHEMBL12574849 0.81 ADORA3 (0.59) ADORA3ADORA2A
SCHEMBL2025922 0.81 ADORA3 (0.43) ADORA3ADORA2A
SCHEMBL12482181 0.80 APP (0.47) ADORA3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
WO-2011082267-A2 SUBSTITUTED TRIAZOLO-PYRAZINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 US 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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO ADORA3 1835/4885BCDIN3D 3290/4885ADORA2A 985/4885

“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.