SCHEMBL13115397

SCHEMBL13115397

CCCc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.58
TCF4 P15884 1/20 0.53
CTNNB1 P35222 1/20 0.53
NOX1 Q9Y5S8 1/20 0.49
AURKA O14965 6/20 0.42
MAPK13 O15264 4/20 0.42
GCGR P47871 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
MAPK14 Q16539 4/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
FRK P42685 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 1/20 0.42
PTK6 Q13882 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL13115389 0.90 MAPK11 (0.49) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL13115392 0.85 MAPK14 (0.53) ALOX5NOX1MAPK13GCGRMAPK12
SCHEMBL13115404 0.84 MAPK11 (0.61) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL13115395 0.82 MAPK14 (0.58) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL13137669 0.82 ALOX5 (0.44) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL13115410 0.81 MAPK11 (0.41) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL13138374 0.81 MAPK14 (0.57) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL13137171 0.80 ALOX5 (0.46) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL5622957 0.79 ALOX5 (0.87) ALOX5TCF4CTNNB1NOX1MAPK13
SCHEMBL13115417 0.79 MAPK14 (0.45) ALOX5MAPK13GCGRMAPK12MAPK11

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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 ALOX5 2112/4885TCF4 4018/4885CTNNB1 2621/4885

“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.