SCHEMBL2062372

SCHEMBL2062372

Fc1ccc(F)c(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.38
KCNH2 Q12809 5/20 0.38
S1PR1 P21453 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
RPS6KB1 P23443 1/20 0.33
NPY5R Q15761 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL885622 0.94 KCNA5 (0.36) KCNA5KCNH2DPP4DPP7RPS6KB1
SCHEMBL2062500 0.91 KCNA5 (0.39) KCNA5KCNH2KDM4EALDH1A1PKM
SCHEMBL885452 0.88 RPS6KB1 (0.38) KCNA5KCNH2S1PR1KDM4EALDH1A1
SCHEMBL886322 0.88 KCNA5 (0.39) KCNA5KCNH2S1PR1ALDH1A1
SCHEMBL886532 0.87 KCNA5 (0.36) KCNA5KCNH2ALDH1A1RPS6KB1ALOX5AP
SCHEMBL885844 0.85 KCNA5 (0.42) KCNA5KCNH2ALDH1A1ALOX5AP
SCHEMBL885978 0.84 KCNA5 (0.42) KCNA5KCNH2KDM4EALDH1A1PKM
SCHEMBL885665 0.84 KCNA5 (0.42) KCNA5KCNH2KDM4EALDH1A1PKM
SCHEMBL885962 0.84 KCNA5 (0.50) KCNA5KCNH2KDM4EALDH1A1
SCHEMBL884813 0.84 KCNA5 (0.43) KCNA5KCNH2KDM4EALDH1A1PKM

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-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US 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 KCNA5 11/4885KCNH2 3/4885S1PR1 1283/4885

“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.