SCHEMBL4469601

SCHEMBL4469601

COc1ccc(C(c2cccnc2)N(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.42
CYP19A1 P11511 2/20 0.39
PFKFB3 Q16875 1/20 0.38
PDE4D Q08499 2/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
RPS6KA3 P51812 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4457212 0.94 KCNA5 (0.42) KCNA5CYP19A1PDE4DKMT2AALDH1A1
SCHEMBL4461835 0.92 CYP19A1 (0.40) KCNA5CYP19A1PDE4DKMT2AALDH1A1
SCHEMBL4457667 0.90 KMT2A (0.39) KCNA5CYP19A1KMT2AALDH1A1POLB
SCHEMBL4454542 0.89 CYP19A1 (0.45) KCNA5CYP19A1KMT2AMEN1SMN1; SMN2
SCHEMBL4472869 0.89 CYP19A1 (0.48) KCNA5CYP19A1PFKFB3
SCHEMBL5136333 0.88 KCNA5 (0.37) KCNA5CYP19A1PFKFB3PDE4DKMT2A
SCHEMBL4459578 0.86 KCNA5 (0.43) KCNA5CYP19A1PDE4DKMT2AALDH1A1
SCHEMBL4472165 0.86 CYP19A1 (0.45) KCNA5CYP19A1
SCHEMBL4466454 0.86 CYP19A1 (0.48) KCNA5CYP19A1
SCHEMBL14435025 0.86 KCNA5 (0.38) KCNA5CYP19A1PDE4D

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 11/4885CYP19A1 4359/4885PFKFB3 2531/4885

“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.