SCHEMBL2062380

SCHEMBL2062380

FC(F)(F)c1cc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.47
KCNH2 Q12809 4/20 0.40
S1PR1 P21453 8/20 0.37
S1PR3 Q99500 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL886357 0.94 KCNA5 (0.54) KCNA5KCNH2S1PR1MEN1KMT2A
SCHEMBL884729 0.93 KCNA5 (0.43) KCNA5KCNH2S1PR1
SCHEMBL2062951 0.88 KCNA5 (0.43) KCNA5KCNH2S1PR1MEN1KMT2A
SCHEMBL885978 0.88 KCNA5 (0.42) KCNA5KCNH2
SCHEMBL885665 0.88 KCNA5 (0.42) KCNA5KCNH2
SCHEMBL884813 0.87 KCNA5 (0.43) KCNA5KCNH2MEN1KMT2A
SCHEMBL885452 0.86 RPS6KB1 (0.38) KCNA5KCNH2S1PR1
SCHEMBL886322 0.86 KCNA5 (0.39) KCNA5KCNH2S1PR1
SCHEMBL2063303 0.85 KCNA5 (0.45) KCNA5KCNH2S1PR1
SCHEMBL2062950 0.85 KCNA5 (0.47) KCNA5KCNH2S1PR1MEN1KMT2A

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.