SCHEMBL1242261

SCHEMBL1242261

OC(c1cccnc1)(c1cccnc1)C(c1ccccc1)n1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.61
KCNH2 Q12809 7/20 0.61
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G1B P04054 1/20 0.44
TP53 P04637 1/20 0.44
PGR P06401 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
IDO1 P14902 1/20 0.44
HPGD P15428 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL1242781 0.87 KCNA5 (0.66) KCNA5KCNH2CYP3A4HIF1A
SCHEMBL9902439 0.78 KCNA5 (0.59) KCNA5KCNH2CYP3A4HIF1A
SCHEMBL1243497 0.78 KCNA5 (0.59) KCNA5KCNH2CYP3A4HIF1A
SCHEMBL1242147 0.78 KCNA5 (0.66) KCNA5KCNH2CYP19A1CYP3A4HIF1A
SCHEMBL1242139 0.77 KCNA5 (0.60) KCNA5KCNH2CYP19A1CYP3A4HIF1A
SCHEMBL1242084 0.76 KCNA5 (1.00) KCNA5KCNH2CYP3A4NPSR1
SCHEMBL1243446 0.76 KCNA5 (1.00) KCNA5KCNH2CYP3A4NPSR1
SCHEMBL1242882 0.76 KCNA5 (0.75) KCNA5KCNH2
SCHEMBL9748875 0.75 CYP26A1 (0.50) CYP17A1CYP19A1CYP3A4MAPTCYP26A1
SCHEMBL1241963 0.75 KCNA5 (0.65) KCNA5KCNH2CYP3A4HIF1A

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 11/4885KCNH2 3/4885CYP17A1 3931/4885

“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.