SCHEMBL2016668

SCHEMBL2016668

Nc1nnc2c(NCc3ccc(F)cc3)nccn12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.44
ZAP70 P43403 1/20 0.44
KARS1 Q15046 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.40
USP10 Q14694 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
USP13 Q92995 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
SCHEMBL2024237 0.87 MAPT (0.44) ADORA3ADORA2AKDM4EHPGDHTT
SCHEMBL2025922 0.87 ADORA3 (0.43) ADORA3ADORA2A
SCHEMBL2019917 0.87 ADORA3 (0.56) ADORA3ADORA2AKDM4ETP53APP
SCHEMBL2018131 0.87 ADORA3 (0.43) ADORA3ADORA2AADORA1APP
SCHEMBL12476646 0.86 ADORA3 (0.55) ADORA3ADORA2AADORA1KDM4EHPGD
SCHEMBL12476121 0.86 ADORA3 (0.48) ADORA3ADORA2AADORA1TP53APP
SCHEMBL2019823 0.85 ADORA3 (0.48) ADORA3ADORA2A
SCHEMBL12575059 0.84 RXFP1 (0.46) ADORA3ZAP70KARS1ADORA2AADORA1
SCHEMBL2027771 0.84 ADORA3 (0.41) ADORA3ADORA2A
SCHEMBL2025860 0.84 ZAP70 (0.50) ADORA3ZAP70KARS1APP

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 1835/4885ZAP70 687/4885KARS1 1193/4885

“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.