SCHEMBL2062879

SCHEMBL2062879

Fc1ccc(CC(c2cccnc2)c2cccnc2)c(-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.72
KCNH2 Q12809 7/20 0.72
NPY5R Q15761 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
DYRK1A Q13627 1/20 0.40
CTSA P10619 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL2064429 0.87 KCNA5 (0.69) KCNA5KCNH2DGAT2
SCHEMBL2063092 0.84 KCNA5 (1.00) KCNA5KCNH2NPY5R
SCHEMBL2062791 0.83 KCNA5 (0.74) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL2062370 0.82 KCNA5 (0.61) KCNA5KCNH2CTSACYP1A2CYP3A4
SCHEMBL2063222 0.81 KCNA5 (0.72) KCNA5KCNH2
SCHEMBL2062611 0.81 KCNA5 (0.72) KCNA5KCNH2
SCHEMBL884949 0.81 KCNA5 (1.00) KCNA5KCNH2NPY5RDYRK1ACTSA
SCHEMBL2063360 0.81 KCNA5 (0.71) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL2062737 0.80 KCNA5 (0.69) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL2063132 0.79 KCNA5 (0.80) 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 3/4885NPY5R 2754/4885

“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.