SCHEMBL707655

SCHEMBL707655

CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.80
FEN1 P39748 8/20 0.38
KCNH2 Q12809 2/20 0.37
MAP4K4 O95819 1/20 0.37
PIK3CA P42336 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TRPV3 Q8NET8 2/20 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
SCHEMBL9924166 0.95 ALOX5AP (0.72) ALOX5APFEN1KCNH2TRPV3
SCHEMBL480221 0.89 ALOX5AP (1.00) ALOX5APFEN1
SCHEMBL480259 0.89 ALOX5AP (1.00) ALOX5APFEN1
SCHEMBL13262237 0.86 ALOX5AP (0.76) ALOX5APFEN1
SCHEMBL13230253 0.84 ALOX5AP (0.72) ALOX5APFEN1KCNH2MAP4K4PIK3CA
SCHEMBL14397218 0.82 ALOX5AP (0.55) ALOX5APKCNH2TRPV3
SCHEMBL480206 0.82 ALOX5AP (0.64) ALOX5APKCNH2MAP4K4PIK3CAMINK1
SCHEMBL707619 0.81 ALOX5AP (0.56) ALOX5APTRPV3
SCHEMBL3000897 0.81 ALOX5AP (0.87) ALOX5APFEN1
SCHEMBL480262 0.80 ALOX5AP (0.82) ALOX5APKCNH2MAP4K4PIK3CAMINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US claimed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US claimed
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 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 (2 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885FEN1 1373/4885KCNH2 2342/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885FEN1 1373/4885KCNH2 2342/4885

“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.