SCHEMBL17394133

SCHEMBL17394133

Nc1nc(N)n(-c2cc(F)c(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.35
▸ PTGS1 P23219 3/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL17394138 0.89 KIF11 (0.45) KIF11PTGS1PTGS2
SCHEMBL17394271 0.87 FEN1 (0.41) —
SCHEMBL17393933 0.85 KDM4E (0.41) ALDH1A1
SCHEMBL17394273 0.85 PTGS2 (0.36) PTGS1PTGS2
SCHEMBL17393983 0.84 JAK2 (0.41) —
SCHEMBL17393840 0.83 CYP11B1 (0.38) —
SCHEMBL17394025 0.83 JAK2 (0.43) —
SCHEMBL17393854 0.81 MAPT (0.44) PTGS1PTGS2ALDH1A1
SCHEMBL17393807 0.81 JAK2 (0.45) —
SCHEMBL17393862 0.79 PDPK1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 — — EP claimed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 — — US claimed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US claimed
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 — — EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 — — US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KIF11 2977/4885PTGS1 837/4885PTGS2 2158/4885

“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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