SCHEMBL7365631

SCHEMBL7365631

Cc1nc(-c2ccc(F)cc2)[nH]c1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
CYP11B2 P19099 1/20 0.51
MAPK13 O15264 5/20 0.50
GCGR P47871 5/20 0.50
MAPK12 P53778 5/20 0.50
MAPK11 Q15759 5/20 0.50
MAPK14 Q16539 5/20 0.50
NPY5R Q15761 2/20 0.50
ALOX5 P09917 1/20 0.50
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
FRK P42685 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
GSK3B P49841 1/20 0.48
PTK6 Q13882 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48

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
SCHEMBL7367947 0.86 NPY5R (0.63) CYP11B1ALDH1A1PKMCYP11B2MAPK13
SCHEMBL7366314 0.83 MAPK13 (0.54) CYP11B1ALDH1A1PKMCYP11B2MAPK13
SCHEMBL13115539 0.83 MAPK14 (0.60) ALDH1A1MAPK13GCGRMAPK12MAPK11
SCHEMBL9196324 0.82 MAPK11 (0.69) ALDH1A1MAPK13GCGRMAPK12MAPK11
SCHEMBL7372293 0.81 MKNK1 (0.58) CYP11B1ALDH1A1CYP11B2MAPK13MAPK12
SCHEMBL7369715 0.81 CYP11B1 (0.52) CYP11B1ALDH1A1PKMCYP11B2MAPK14
SCHEMBL13115406 0.80 CYP11B1 (0.48) CYP11B1ALDH1A1PKMCYP11B2MAPK13
SCHEMBL27674584 0.80 CYP11B1 (0.49) CYP11B1ALDH1A1CYP11B2NPY5RDHODH
SCHEMBL13115431 0.80 CYP11B1 (0.50) CYP11B1ALDH1A1PKMMAPK13GCGR
SCHEMBL7375046 0.80 NPY5R (0.55) CYP11B1ALDH1A1CYP11B2MAPK13MAPK12

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 7 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
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
CN-87105680-A Imidazolium compounds and preparation method thereof and comprise the pharmaceutical composition of this compound 1988-04-27 CN disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP 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 CYP11B1 4021/4885ALDH1A1 4600/4885PKM 1434/4885

“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.