SCHEMBL13115331

SCHEMBL13115331

CCc1nc(-c2csc(Cl)c2)[nH]c1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.42
NPY5R Q15761 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 1/20 0.39
LDHA P00338 1/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL13232284 0.86 MAPT (0.40) BRAFNPY5RKDM4EALDH1A1MAPT
SCHEMBL13115329 0.84 CYP11B1 (0.46) BRAFNPY5RKDM4EALDH1A1MAPT
SCHEMBL13115243 0.82 NPY5R (0.57) BRAFNPY5RKDM4EALDH1A1MAPT
SCHEMBL13115333 0.82 CYP19A1 (0.57) BRAFNPY5RKDM4EALDH1A1NPC1
SCHEMBL2818853 0.81 NPY5R (0.46) BRAFNPY5RKDM4EALDH1A1MAPT
SCHEMBL13115246 0.80 CYP2A6 (0.56) BRAFNPY5RKDM4EALDH1A1MAPT
SCHEMBL13115248 0.79 MMP13 (0.49) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL13263305 0.78 NPY5R (0.48) NPY5RKDM4EALDH1A1MAPTNPC1
SCHEMBL13115353 0.77 DYRK1A (0.46) NPY5RKDM4EALDH1A1MAPTNPC1
SCHEMBL13115247 0.77 NPY5R (0.51) BRAFNPY5RKDM4EALDH1A1MAPT

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 BRAF 2573/4885NPY5R 695/4885KDM4E 801/4885

“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.