SCHEMBL4461880

SCHEMBL4461880

COc1ccc(C(c2cccnc2)N(c2cccnc2)c2cccc(N)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.35
CYP19A1 P11511 1/20 0.34
PFKFB3 Q16875 1/20 0.34
KCNH2 Q12809 1/20 0.33
PIK3CA P42336 3/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PDE4D Q08499 1/20 0.32
MTOR P42345 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
ROCK2 O75116 1/20 0.30
OXTR P30559 1/20 0.30

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
SCHEMBL4469190 0.95 CYP19A1 (0.36) KCNA5CYP19A1PFKFB3KCNH2PIK3CA
SCHEMBL4470602 0.87 KCNA5 (0.35) KCNA5CYP19A1PFKFB3PDE4DMEN1
SCHEMBL4459076 0.86 KCNA5 (0.38) KCNA5CYP19A1KCNH2MEN1
SCHEMBL4469601 0.85 KCNA5 (0.42) KCNA5CYP19A1PFKFB3PDE4DMEN1
SCHEMBL4462686 0.84 CYP19A1 (0.40) KCNA5CYP19A1PFKFB3PDE4DMEN1
SCHEMBL4459300 0.84 KCNA5 (0.36) KCNA5CYP19A1KCNH2PIK3CAPIK3CD
SCHEMBL4452542 0.83 TAAR1 (0.39) KCNA5CYP19A1PDE4DADORA2A
SCHEMBL4457212 0.83 KCNA5 (0.42) KCNA5CYP19A1PDE4DKMT2AROCK2
SCHEMBL5065888 0.83 HSP90AA1 (0.36) KCNA5CYP19A1PIK3CAPIK3CDPIK3CB
SCHEMBL4466470 0.81 KCNA5 (0.46) KCNA5CYP19A1PFKFB3KCNH2MEN1

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-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US 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.