SCHEMBL2018131

SCHEMBL2018131

Nc1nnc2c(NCc3ccc(Br)cc3)nccn12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.43
ADORA2A P29274 2/20 0.43
EGFR P00533 1/20 0.41
APP P05067 1/20 0.40
MAPK8 P45983 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA1 P30542 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
SCHEMBL12476576 0.87 ADORA3 (0.45) ADORA3ADORA2AMAPK8
SCHEMBL2025922 0.87 ADORA3 (0.43) ADORA3ADORA2AMAPK8
SCHEMBL2016668 0.87 ADORA3 (0.44) ADORA3ADORA2AAPPADORA1
SCHEMBL2024237 0.87 MAPT (0.44) ADORA3ADORA2AAPPMAPK8MEN1
SCHEMBL2019917 0.87 ADORA3 (0.56) ADORA3ADORA2AAPP
SCHEMBL12476646 0.86 ADORA3 (0.55) ADORA3ADORA2AMAPK8ADORA1
SCHEMBL2019823 0.85 ADORA3 (0.48) ADORA3ADORA2AMAPK8
SCHEMBL12575105 0.84 MEN1 (0.44) ADORA3ADORA2AMAPK8MEN1KMT2A
SCHEMBL2025860 0.84 ZAP70 (0.50) ADORA3APP
SCHEMBL2027771 0.84 ADORA3 (0.41) ADORA3ADORA2AMAPK8

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 1835/4885ADORA2A 985/4885EGFR 1409/4885

“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.