SCHEMBL2019721

SCHEMBL2019721

CCCN(C)c1nccn2c(N(C(=O)O)C(C)C)nnc12

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.37
▸ HCAR3 P49019 1/20 0.32
▸ GRIA1 P42261 1/20 0.31

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
SCHEMBL2021495 0.84 ZAP70 (0.40) GRIA1
SCHEMBL2026164 0.81 LMNA (0.36) ADORA3GRIA1
SCHEMBL2024478 0.77 GRIA1 (0.31) GRIA1
SCHEMBL12638151 0.75 ADORA3 (0.39) ADORA3HCAR3
SCHEMBL2022563 0.75 HPGD (0.35) GRIA1
SCHEMBL2020707 0.72 ADORA3 (0.43) ADORA3GRIA1
SCHEMBL2021837 0.72 ZAP70 (0.40) —
SCHEMBL2020203 0.72 ZAP70 (0.33) GRIA1
SCHEMBL2021662 0.72 ADORA3 (0.40) ADORA3
SCHEMBL2023129 0.71 ZAP70 (0.34) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1835/4885HCAR3 1603/4885GRIA1 2924/4885

“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.

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