SCHEMBL4470602

SCHEMBL4470602

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.35
CYP19A1 P11511 2/20 0.34
PFKFB3 Q16875 1/20 0.34
OXTR P30559 1/20 0.32
PDE4D Q08499 1/20 0.32
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
CRHR1 P34998 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
SCHEMBL4459564 0.95 CYP19A1 (0.36) KCNA5CYP19A1PFKFB3OXTRMEN1
SCHEMBL4461880 0.87 KCNA5 (0.35) KCNA5CYP19A1PFKFB3OXTRPDE4D
SCHEMBL4464269 0.87 CYP19A1 (0.34) KCNA5CYP19A1OXTRADORA2AROCK2
SCHEMBL4461625 0.86 CYP19A1 (0.40) KCNA5CYP19A1
SCHEMBL4461775 0.86 KDM4E (0.33) KCNA5CYP19A1PFKFB3OXTRKMT2A
SCHEMBL4469601 0.85 KCNA5 (0.42) KCNA5CYP19A1PFKFB3PDE4DMEN1
SCHEMBL4462686 0.84 CYP19A1 (0.40) KCNA5CYP19A1PFKFB3OXTRPDE4D
SCHEMBL4453034 0.84 KCNA5 (0.33) KCNA5CYP19A1
SCHEMBL5134383 0.83 CYP3A4 (0.34) KCNA5CYP19A1OXTRADORA2A
SCHEMBL4452542 0.83 TAAR1 (0.39) KCNA5CYP19A1PDE4DADORA2A

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.