SCHEMBL13115256

SCHEMBL13115256

CCc1nc(-c2ccc(C#N)s2)[nH]c1-c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2A6 P11509 8/20 0.38
CYP2D6 P10635 6/20 0.38
CYP2C19 P33261 6/20 0.38
CYP2C9 P11712 5/20 0.38
DYRK1A Q13627 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CLK1 P49759 1/20 0.36
KDM5A P29375 1/20 0.36
NPY5R Q15761 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL13115246 0.83 CYP2A6 (0.56) ALDH1A1HSD17B10TSHRMAPK1CYP2A6
SCHEMBL13115328 0.79 CYP11B2 (0.54) ALDH1A1HSD17B10TSHRMAPK1DYRK1A
SCHEMBL13232285 0.78 CYP3A4 (0.54) ALDH1A1HSD17B10MAPK1CYP2A6CYP2C19
SCHEMBL13115353 0.78 DYRK1A (0.46) ALDH1A1HSD17B10TSHRMAPK1CYP2A6
SCHEMBL13115335 0.77 CYP19A1 (0.49) ALDH1A1HSD17B10TSHRMAPK1CYP2C19
SCHEMBL19745884 0.76 CYP2A6 (0.56) ALDH1A1HSD17B10CYP2A6CYP2D6CYP2C19
SCHEMBL13263305 0.73 NPY5R (0.48) ALDH1A1HSD17B10TSHRMAPK1CYP19A1
SCHEMBL13115333 0.72 CYP19A1 (0.57) ALDH1A1HSD17B10TSHRMAPK1CYP19A1
SCHEMBL13115247 0.71 NPY5R (0.51) ALDH1A1HSD17B10TSHRMAPK1CYP2C19
SCHEMBL13115243 0.71 NPY5R (0.57) ALDH1A1HSD17B10TSHRMAPK1CYP2C19

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 ALDH1A1 4600/4885HSD17B10 3872/4885TSHR 2800/4885

“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.