SCHEMBL2019511

SCHEMBL2019511

CC(C)N(C(=O)O)c1nnc2c(N(C)c3ccc(F)cc3)nccn12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 3/20 0.35
▸ GRIA1 P42261 6/20 0.35
▸ HASPIN Q8TF76 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.30
▸ GRM1 Q13255 2/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30

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
SCHEMBL2026164 0.90 LMNA (0.36) CSNK1EGRIA1TDP1
SCHEMBL2016014 0.89 KDM4A (0.32) GRIA1RXRA
SCHEMBL2026353 0.88 TUBB4A (0.36) —
SCHEMBL2022349 0.81 GRIA1 (0.35) GRIA1TDP1
SCHEMBL2027341 0.80 MEN1 (0.36) GRIA1
SCHEMBL2021495 0.78 ZAP70 (0.40) GRIA1
SCHEMBL2019721 0.78 ADORA3 (0.37) GRIA1
SCHEMBL2195004 0.77 CSNK1E (0.35) CSNK1EGRIA1HASPINGPBAR1RXRA
SCHEMBL12575063 0.75 CSNK1E (0.40) CSNK1EGRIA1HASPIN
SCHEMBL2026310 0.75 ADORA3 (0.50) TDP1

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 3 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
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

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 CSNK1E 1488/4885GRIA1 2924/4885HASPIN 820/4885

“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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