SCHEMBL4471213

SCHEMBL4471213

COc1ccc(N(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.42
VNN1 O95497 1/20 0.40
OXTR P30559 4/20 0.40
CYP19A1 P11511 2/20 0.40
AVPR1A P37288 3/20 0.38
KCNH2 Q12809 2/20 0.38
GRM5 P41594 1/20 0.36
MGLL Q99685 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALPL P05186 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL4460426 0.90 CYP19A1 (0.48) KCNA5VNN1OXTRCYP19A1AVPR1A
SCHEMBL4466454 0.89 CYP19A1 (0.48) KCNA5VNN1OXTRCYP19A1AVPR1A
SCHEMBL4472869 0.87 CYP19A1 (0.48) KCNA5OXTRCYP19A1AVPR1ACYP11B2
SCHEMBL4457212 0.86 KCNA5 (0.42) KCNA5OXTRCYP19A1AVPR1A
SCHEMBL4459003 0.86 CYP19A1 (0.49) KCNA5VNN1CYP19A1KCNH2GRM5
SCHEMBL4461835 0.86 CYP19A1 (0.40) KCNA5OXTRCYP19A1AVPR1A
SCHEMBL4472165 0.83 CYP19A1 (0.45) KCNA5OXTRCYP19A1AVPR1ACYP11B2
SCHEMBL4457675 0.83 KCNA5 (0.41) KCNA5OXTRCYP19A1GRM5
SCHEMBL4464219 0.83 CYP19A1 (0.41) KCNA5VNN1OXTRCYP19A1AVPR1A
SCHEMBL4464233 0.81 KCNA5 (0.35) KCNA5OXTRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KCNA5 11/4885VNN1 3240/4885OXTR 2684/4885

“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.