SCHEMBL2063084

SCHEMBL2063084

Cc1noc(C)c1-c1cc(F)ccc1CC(c1cccnc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.54
KCNH2 Q12809 7/20 0.54
BRD4 O60885 5/20 0.46
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL884634 0.83 CYP3A4 (0.45) KCNA5KCNH2BRD4CYP3A4CYP2C19
SCHEMBL885726 0.80 KCNA5 (0.54) KCNA5KCNH2CYP3A4ALDH1A1
SCHEMBL2062680 0.79 KCNA5 (0.60) KCNA5KCNH2ALDH1A1
SCHEMBL2063320 0.78 KCNA5 (0.65) KCNA5KCNH2
SCHEMBL2063360 0.78 KCNA5 (0.71) KCNA5KCNH2
SCHEMBL2062791 0.78 KCNA5 (0.74) KCNA5KCNH2
SCHEMBL2062737 0.77 KCNA5 (0.69) KCNA5KCNH2
SCHEMBL2063222 0.76 KCNA5 (0.72) KCNA5KCNH2
SCHEMBL2063449 0.76 KCNA5 (0.65) KCNA5KCNH2
SCHEMBL2063808 0.76 KCNA5 (0.61) KCNA5KCNH2

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 3/4885BRD4 431/4885

“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.