SCHEMBL2019917

SCHEMBL2019917

Nc1nnc2c(NCc3ccc(Cl)cc3)nccn12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.56
ADORA2A P29274 3/20 0.56
LRRK2 Q5S007 1/20 0.41
FLT3 P36888 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL12476642 0.87 ADORA3 (0.46) ADORA3ADORA2ATP53
SCHEMBL2024237 0.87 MAPT (0.44) ADORA3ADORA2AKDM4EAPP
SCHEMBL2018131 0.87 ADORA3 (0.43) ADORA3ADORA2AAPP
SCHEMBL2016668 0.87 ADORA3 (0.44) ADORA3ADORA2ATP53KDM4EAPP
SCHEMBL2025922 0.87 ADORA3 (0.43) ADORA3ADORA2A
SCHEMBL12476646 0.86 ADORA3 (0.55) ADORA3ADORA2AKDM4E
SCHEMBL2019823 0.85 ADORA3 (0.48) ADORA3ADORA2AFLT3
SCHEMBL12575080 0.84 ADORA3 (0.56) ADORA3ADORA2ALRRK2TP53KDM4E
SCHEMBL12476121 0.84 ADORA3 (0.48) ADORA3ADORA2ATP53APP
SCHEMBL2027771 0.84 ADORA3 (0.41) ADORA3ADORA2A

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 985/4885LRRK2 2325/4885

“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.