SCHEMBL13115282

SCHEMBL13115282

CCCc1nc(-c2ccc(C#N)cc2)[nH]c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.56
MAPK13 O15264 3/20 0.56
MAPK12 P53778 3/20 0.56
MAPK11 Q15759 3/20 0.56
RAF1 P04049 1/20 0.56
IDO1 P14902 1/20 0.48
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
GCGR P47871 2/20 0.43
CXCR2 P25025 1/20 0.43
ALOX5 P09917 1/20 0.43
CHEK2 O96017 1/20 0.43
RHEB Q15382 1/20 0.42
PDE5A O76074 1/20 0.42
PARP1 P09874 1/20 0.41
GRM5 P41594 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL13115274 0.89 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13138374 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13115568 0.87 PDE5A (0.50) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13115448 0.84 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13115443 0.84 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13263390 0.83 KDM4E (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13115458 0.83 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13115392 0.82 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13115340 0.82 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13115235 0.82 MAPT (0.48) MAPK14MAPK13MAPK12MAPK11RAF1

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 4 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-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
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 MAPK14 1232/4885MAPK13 1596/4885MAPK12 1815/4885

“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.