SCHEMBL17394263

SCHEMBL17394263

CCCS(=O)(=O)c1ccc(-c2c(F)cc(-n3nc(N)nc3N)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.33
PDPK1 O15530 2/20 0.33
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
ATR Q13535 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL16014524 0.93 CHRNA7 (0.35) CHRNA7ATMATRCYP3A4CYP2D6
SCHEMBL17394236 0.87
SCHEMBL16014786 0.86 PTGS2 (0.40)
SCHEMBL17394273 0.86 PTGS2 (0.36) PDPK1
SCHEMBL17394158 0.84 FEN1 (0.36) ATMATR
SCHEMBL17394047 0.78 PTGS2 (0.44)
SCHEMBL17394162 0.78 PTGS2 (0.43)
SCHEMBL17394276 0.78
SCHEMBL16014523 0.76 ATM (0.35) ATMATR
SCHEMBL17393856 0.75

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 4 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

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 CHRNA7 4851/4885PDPK1 2265/4885TP53 2824/4885

“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.