SCHEMBL884692

SCHEMBL884692

c1cncc(C(Cc2ccc3ccccc3c2)c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
KCNA5 P22460 4/20 0.50
CYP51A1 Q16850 2/20 0.50
SLC6A4 P31645 6/20 0.48
SLC6A2 P23975 5/20 0.48
SLC6A3 Q01959 5/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
CFTR P13569 1/20 0.47
GOPC Q9HD26 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL8198238 0.83 HTR2A (0.58) KCNH2SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL2062537 0.79 HSP90AB1 (0.58) CYP51A1CYP19A1
SCHEMBL4197953 0.76 KCNA5 (0.50) KCNH2KCNA5SLC6A4SLC6A2SLC6A3
SCHEMBL884658 0.75 KCNA5 (0.47) KCNH2KCNA5SLC6A4SLC6A2SLC6A3
SCHEMBL2063857 0.75 KCNA5 (0.47) KCNH2KCNA5SLC6A4SLC6A2SLC6A3
SCHEMBL884888 0.75 CYP1A2 (0.54) KCNH2KCNA5SLC6A4SLC6A2SLC6A3
SCHEMBL31570747 0.74 SLC6A2 (0.66) KCNH2KCNA5SLC6A4SLC6A2SLC6A3
SCHEMBL27539172 0.74 SLC6A2 (0.52) KCNH2KCNA5SLC6A4SLC6A2SLC6A3
SCHEMBL8775839 0.74 KCNA5 (0.48) KCNH2KCNA5SLC6A4SLC6A2SLC6A3
SCHEMBL21283342 0.73 CYP2D6 (0.53) KCNH2CYP51A1SLC6A4SLC6A2SLC6A3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNH2 3/4885KCNA5 11/4885CYP51A1 1143/4885

“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.