SCHEMBL2018901

SCHEMBL2018901

Nc1nnc2c(NCc3cccc(-c4ccccc4)c3)nccn12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.60
HIF1A Q16665 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAPK8 P45983 1/20 0.43
BACE1 P56817 1/20 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
SCHEMBL2019823 0.89 ADORA3 (0.48) ADORA3HIF1AADORA2AMAPK8
SCHEMBL12476646 0.89 ADORA3 (0.55) ADORA3ADORA2AADORA1MAPK8BACE1
SCHEMBL12575076 0.86 ADORA3 (0.60) ADORA3HIF1AADORA2AADORA1MAPK8
SCHEMBL12574975 0.85 ADORA3 (0.59) ADORA3HIF1AADORA2AADORA1MAPK8
SCHEMBL12574849 0.85 ADORA3 (0.59) ADORA3ADORA2AADORA1
SCHEMBL12637343 0.82 ADORA3 (0.58) ADORA3HIF1AADORA2AADORA1
SCHEMBL12638995 0.82 ADORA3 (0.56) ADORA3HIF1AADORA2AADORA1MAPK8
SCHEMBL12482130 0.82 ADORA3 (0.61) ADORA3ADORA2AADORA1MAPK8
SCHEMBL2023990 0.79 ADORA3 (0.56) ADORA3ADORA2AMAPK8
SCHEMBL12574847 0.79 ADORA3 (0.43) ADORA3HIF1AADORA2AADORA1

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 1835/4885HIF1A 2721/4885ADORA2A 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.