SCHEMBL4469190

SCHEMBL4469190

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
KCNA5 P22460 5/20 0.35
KCNH2 Q12809 1/20 0.35
PIK3CA P42336 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
HTR6 P50406 1/20 0.33
MTOR P42345 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
OXTR P30559 3/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
PFKFB3 Q16875 1/20 0.32
ADORA2A P29274 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL4461880 0.95 KCNA5 (0.35) CYP19A1KCNA5KCNH2PIK3CAPIK3CD
SCHEMBL4462686 0.90 CYP19A1 (0.40) CYP19A1KCNA5HTR6MEN1USP2
SCHEMBL4459300 0.89 KCNA5 (0.36) CYP19A1KCNA5KCNH2PIK3CAPIK3CD
SCHEMBL5065888 0.88 HSP90AA1 (0.36) CYP19A1KCNA5PIK3CAPIK3CDPIK3CB
SCHEMBL4459564 0.86 CYP19A1 (0.36) CYP19A1KCNA5HTR6MEN1USP2
SCHEMBL14435718 0.86 PDE4D (0.37) CYP19A1KCNA5HTR6MEN1USP2
SCHEMBL4461835 0.85 CYP19A1 (0.40) CYP19A1KCNA5HTR6KMT2AOXTR
SCHEMBL4461912 0.84 OXTR (0.33) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4458245 0.84 CYP19A1 (0.35) CYP19A1KCNA5HTR6MEN1USP2
SCHEMBL4459076 0.84 KCNA5 (0.38) CYP19A1KCNA5KCNH2MEN1

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 4 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
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 CYP19A1 4359/4885KCNA5 11/4885KCNH2 2/4885

“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.