SCHEMBL13524513

SCHEMBL13524513

CC(C)c1cc(-c2ccc3c(N)noc3c2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.38
▸ F9 P00740 1/20 0.36
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ KLKB1 P03952 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ KDR P35968 3/20 0.33
▸ KIT P10721 2/20 0.33
▸ F11 P03951 3/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ MET P08581 1/20 0.32
▸ MAP4K4 O95819 2/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ DCLK1 O15075 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ DAPK3 O43293 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
SCHEMBL13525173 0.81 MAPK14 (0.45) MAPK14F9IKBKETBK1ESR1
SCHEMBL23840765 0.79 IKBKE (0.39) IKBKETBK1ALOX5APFEN1
SCHEMBL13394493 0.79 IKBKE (0.44) IKBKETBK1ALOX5APFEN1
SCHEMBL13524512 0.76 RXRA (0.42) MAPK14F9IKBKETBK1KDR
SCHEMBL12441328 0.75 F11 (0.46) MAPK14F9ESR1ESR2KLKB1
SCHEMBL7072970 0.73 MAP4K4 (0.46) MAPK14F9ESR1ESR2KDR
SCHEMBL12546215 0.72 TBK1 (0.45) MAPK14F9IKBKETBK1LTB4R
SCHEMBL14063574 0.72 MAPK14 (0.38) MAPK14F9TBK1F11LTB4R
SCHEMBL13376464 0.71 MAP4K4 (0.58) MAPK14F9IKBKEKDRKIT
SCHEMBL14072365 0.71 MAP4K4 (0.52) MAPK14F9F11MAP4K4DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 — — US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — 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-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 MAPK14 830/4885F9 10/4885IKBKE 97/4885

“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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