SCHEMBL13115335

SCHEMBL13115335

CCc1nc(-c2cccc(C#N)c2)[nH]c1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
KIT P10721 1/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNA5 P30532 2/20 0.48
CHRNA4 P43681 2/20 0.48
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 3/20 0.46
TSHR P16473 2/20 0.46
CYP11B2 P19099 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP11B1 P15538 1/20 0.45
PIN1 Q13526 1/20 0.45
NEK1 Q96PY6 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
ALOX15 P16050 2/20 0.42
NPY5R Q15761 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
SCHEMBL13115328 0.88 CYP11B2 (0.54) CYP19A1ALDH1A1HSD17B10MAPK1TSHR
SCHEMBL13115243 0.82 NPY5R (0.57) CYP19A1ALDH1A1HSD17B10MAPK1TSHR
SCHEMBL13115465 0.78 CYP11B2 (0.50) CYP19A1MAPK1CYP11B2CYP17A1CYP11B1
SCHEMBL13263305 0.78 NPY5R (0.48) CYP19A1KITALDH1A1HSD17B10MAPK1
SCHEMBL13115256 0.77 ALDH1A1 (0.44) CYP19A1ALDH1A1HSD17B10MAPK1TSHR
SCHEMBL7370361 0.77 TLR8 (0.59) KITALDH1A1HSD17B10MAPK1NPY5R
SCHEMBL13115449 0.77 CYP11B2 (0.51) CYP19A1CYP11B2CYP17A1CYP11B1NPY5R
SCHEMBL13115333 0.77 CYP19A1 (0.57) CYP19A1KITALDH1A1HSD17B10MAPK1
SCHEMBL13115441 0.76 CYP11B2 (0.54) CYP19A1CYP11B2CYP17A1CYP11B1NPY5R
Hydrochloric Acid SCHEMBL7400891 0.76 TLR8 (0.58) KITALDH1A1HSD17B10MAPK1NPY5R

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-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 CYP19A1 3716/4885KIT 2321/4885CHRNB2 427/4885

“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.