SCHEMBL16489044

SCHEMBL16489044

CNCc1ccc(C(=N)OC(=N)c2cncc(-c3ccc([S+]([O-])C(C)CCO)cc3)n2)c(F)c1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 1/20 0.30
▸ SCN10A Q9Y5Y9 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
SCHEMBL16489042 0.92 SCN2A (0.30) SCN2ASCN10A
SCHEMBL16489040 0.90 — —
SCHEMBL16489020 0.87 ATR (0.35) SCN2ASCN10A
SCHEMBL13138344 0.85 ATR (0.41) —
SCHEMBL16489043 0.82 ATR (0.32) SCN2ASCN10A
SCHEMBL16489036 0.81 ATM (0.30) —
SCHEMBL16489041 0.79 ATR (0.34) SCN2ASCN10A
SCHEMBL13138334 0.78 ATR (0.40) —
SCHEMBL18177409 0.78 ATR (0.37) SCN2ASCN10A
SCHEMBL16420690 0.77 ATR (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 — — US disclosed
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-02-19 — — 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-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 SCN2A 2823/4885SCN10A 4295/4885

“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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