SCHEMBL4456687

SCHEMBL4456687

COc1ccc(N(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ELOVL1 Q9BW60 1/20 0.38
OXTR P30559 2/20 0.37
AVPR1A P37288 1/20 0.37
RPS6KA3 P51812 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 1/20 0.36
KCNA5 P22460 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
KCND3 Q9UK17 1/20 0.35
HTR6 P50406 1/20 0.35
GPR55 Q9Y2T6 3/20 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
SCHEMBL4461835 0.92 CYP19A1 (0.40) POLBKMT2AOXTRAVPR1ACYP19A1
SCHEMBL4457212 0.90 KCNA5 (0.42) POLBKMT2AOXTRAVPR1ACYP19A1
SCHEMBL13971458 0.88 ELOVL1 (0.42) POLBELOVL1L3MBTL1KCNA5ROCK2
SCHEMBL4457667 0.88 KMT2A (0.39) POLBKMT2AMEN1USP2ELOVL1
SCHEMBL4460426 0.84 CYP19A1 (0.48) OXTRAVPR1ACYP19A1KCNA5
SCHEMBL4469601 0.84 KCNA5 (0.42) POLBKMT2AMEN1USP2RPS6KA3
SCHEMBL4472006 0.83 POLB (0.38) POLBL3MBTL1KCNA5ALDH1A1KCNE1
SCHEMBL14435718 0.82 PDE4D (0.37) POLBKMT2AMEN1USP2OXTR
SCHEMBL4457675 0.82 KCNA5 (0.41) OXTRCYP19A1KCNA5KCND3
SCHEMBL4454542 0.82 CYP19A1 (0.45) KMT2AMEN1OXTRCYP19A1KCNA5

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
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

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 POLB 4703/4885KMT2A 130/4885MEN1 1188/4885

“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.