SCHEMBL2025860

SCHEMBL2025860

COc1ccc(CNc2nccn3c(N)nnc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.50
KARS1 Q15046 9/20 0.50
CDK1 P06493 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
APP P05067 1/20 0.44
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL12476781 0.88 TP53 (0.50) ZAP70KARS1ADORA3
SCHEMBL2024237 0.86 MAPT (0.44) ADORA3NPC1APP
SCHEMBL2025922 0.86 ADORA3 (0.43) ADORA3
SCHEMBL12638530 0.85 ZAP70 (0.50) ZAP70KARS1CDK1CCNB2CCNB1
SCHEMBL12482181 0.85 APP (0.47) ZAP70KARS1ADORA3TDP1APP
SCHEMBL2019917 0.84 ADORA3 (0.56) ADORA3APP
SCHEMBL2016668 0.84 ADORA3 (0.44) ZAP70KARS1ADORA3APP
SCHEMBL2018131 0.84 ADORA3 (0.43) ADORA3APP
SCHEMBL12476646 0.83 ADORA3 (0.55) CDK1ADORA3
SCHEMBL2027771 0.83 ADORA3 (0.41) 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 5 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
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

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 ZAP70 687/4885KARS1 1193/4885CDK1 35/4885

“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.