SCHEMBL13115447

SCHEMBL13115447

COCc1nc(-c2cccc(F)c2)[nH]c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.51
MAPK12 P53778 3/20 0.51
MAPK11 Q15759 3/20 0.51
MAPK14 Q16539 3/20 0.51
RAF1 P04049 3/20 0.51
MAPT P10636 3/20 0.50
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
POLB P06746 1/20 0.45
PIN1 Q13526 1/20 0.44
PTPN1 P18031 1/20 0.42
DYRK1A Q13627 1/20 0.41
HPGDS O60760 1/20 0.41
NOX1 Q9Y5S8 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
SMPD3 Q9NY59 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL13232351 0.86 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13115440 0.85 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13115286 0.83 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13115463 0.82 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13115480 0.80 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13115466 0.80 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13115448 0.76 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13115451 0.73 CYP11B1 (0.47) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL10355248 0.72 MAPT (0.46) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13115417 0.71 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14RAF1

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 MAPK13 1596/4885MAPK12 1815/4885MAPK11 2136/4885

“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.