SCHEMBL13394493

SCHEMBL13394493

CC(C)c1cc2c(N)noc2cc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ F10 P00742 4/20 0.32
▸ F2 P00734 1/20 0.30
▸ IDO1 P14902 3/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ P2RX2 Q9UBL9 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ IDH1 O75874 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
SCHEMBL23840765 0.93 IKBKE (0.39) IKBKETBK1F10F2IDO1
SCHEMBL8221322 0.81 CHRNB2 (0.39) IKBKETBK1
SCHEMBL13524513 0.79 MAPK14 (0.38) IKBKETBK1ALOX5APFEN1
SCHEMBL26774763 0.78 MAPK14 (0.35) IDO1
SCHEMBL13414103 0.77 IDO1 (0.36) F10IDO1
SCHEMBL8226417 0.75 IKBKE (0.36) IKBKETBK1
SCHEMBL12546006 0.75 CHRNB2 (0.39) IKBKETBK1
SCHEMBL31289217 0.74 IDO1 (0.40) IDO1
SCHEMBL8257929 0.74 IDO1 (0.36) F10IDO1
SCHEMBL13862105 0.73 IDO1 (0.34) IDO1

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-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L IKBKE 583/4885TBK1 1933/4885F10 3031/4885

“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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