SCHEMBL1243799

SCHEMBL1243799

COC(=O)CCNC(c1cccc(C#N)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.55
VNN1 O95497 2/20 0.45
MGLL Q99685 1/20 0.40
CYP19A1 P11511 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 2/20 0.39
KCNH2 Q12809 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL1243189 0.84 CYP19A1 (0.46) KCNA5VNN1MGLLCYP19A1SGMS2
SCHEMBL1376729 0.83 KCNA5 (0.46) KCNA5VNN1MGLLCYP19A1SGMS2
SCHEMBL1242218 0.82 KCNA5 (0.45) KCNA5VNN1MGLLCYP19A1SGMS2
SCHEMBL1243076 0.81 KCNA5 (0.46) KCNA5VNN1MGLLCYP19A1SGMS2
SCHEMBL1242304 0.81 KCNA5 (0.47) KCNA5VNN1MGLLCYP19A1SGMS2
SCHEMBL9903713 0.81 KCNA5 (0.46) KCNA5VNN1MGLLCYP19A1SGMS2
SCHEMBL1242332 0.78 CYP19A1 (0.48) KCNA5VNN1CYP19A1SGMS2KDM4E
SCHEMBL1242307 0.78 KCNA5 (0.48) KCNA5VNN1MGLLCYP19A1SGMS2
SCHEMBL9903845 0.77 KCNA5 (0.44) KCNA5VNN1MGLLCYP19A1SGMS2
SCHEMBL4580519 0.75 SMN1; SMN2 (0.47) KCNA5VNN1SGMS2ALDH1A1KMT2A

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
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885VNN1 2972/4885MGLL 1647/4885

“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.