SCHEMBL17393983

SCHEMBL17393983

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ SRC P12931 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ HEXA P06865 1/20 0.37
▸ HEXB P07686 1/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GABRG1 Q8N1C3 1/20 0.36

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
SCHEMBL17393933 0.91 KDM4E (0.41) SRCBRAFKDRGABRPGABRD
SCHEMBL17393840 0.89 CYP11B1 (0.38) SRCBRAFKDRGABRPGABRD
SCHEMBL17393854 0.86 MAPT (0.44) SRCBRAFKDRGABRPGABRD
SCHEMBL17393862 0.85 PDPK1 (0.38) SRC
SCHEMBL16014591 0.85 RPS6KB1 (0.35) —
SCHEMBL17394133 0.84 KIF11 (0.35) —
SCHEMBL17394138 0.84 KIF11 (0.45) JAK2
SCHEMBL17394240 0.83 ACHE (0.39) —
SCHEMBL17394271 0.82 FEN1 (0.41) —
SCHEMBL16014594 0.81 TP53 (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 JAK2 511/4885SRC 3917/4885BRAF 4684/4885

“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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