SCHEMBL4462686

SCHEMBL4462686

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
TAAR1 Q96RJ0 1/20 0.37
KCNA5 P22460 2/20 0.35
PDE4D Q08499 1/20 0.34
HTR6 P50406 1/20 0.34
OXTR P30559 3/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PFKFB3 Q16875 1/20 0.33
ADORA2A P29274 1/20 0.33
ROCK2 O75116 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL4452542 0.91 TAAR1 (0.39) CYP19A1TAAR1KCNA5PDE4DADORA2A
SCHEMBL4469190 0.90 CYP19A1 (0.36) CYP19A1KCNA5HTR6OXTRMEN1
SCHEMBL4459564 0.90 CYP19A1 (0.36) CYP19A1KCNA5HTR6OXTRMEN1
SCHEMBL14435718 0.89 PDE4D (0.37) CYP19A1KCNA5PDE4DHTR6OXTR
SCHEMBL4461835 0.88 CYP19A1 (0.40) CYP19A1KCNA5PDE4DHTR6OXTR
SCHEMBL4462118 0.88 KCNA5 (0.39) TAAR1KCNA5PDE4DMEN1KMT2A
SCHEMBL4455520 0.88 CFTR (0.40) TAAR1KCNA5PDE4DADORA2A
SCHEMBL4458245 0.88 CYP19A1 (0.35) CYP19A1KCNA5HTR6OXTRMEN1
SCHEMBL4472006 0.87 POLB (0.38) TAAR1KCNA5PDE4DADORA2A
SCHEMBL5065888 0.86 HSP90AA1 (0.36) CYP19A1KCNA5HTR6HCRTR1HCRTR2

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 4359/4885TAAR1 560/4885KCNA5 11/4885

“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.