SCHEMBL4472165

SCHEMBL4472165

COc1ccc(C(c2ccc(C#N)cc2)N(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.45
NR3C1 P04150 2/20 0.40
CYP11B2 P19099 1/20 0.39
KCNA5 P22460 1/20 0.38
OXTR P30559 3/20 0.36
NPY5R Q15761 1/20 0.34
ALPL P05186 1/20 0.34
AVPR1A P37288 2/20 0.34
CYP3A4 P08684 3/20 0.34
KDM1A O60341 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
SCHEMBL4472869 0.94 CYP19A1 (0.48) CYP19A1NR3C1CYP11B2KCNA5OXTR
SCHEMBL4466454 0.94 CYP19A1 (0.48) CYP19A1NR3C1CYP11B2KCNA5OXTR
SCHEMBL4460426 0.88 CYP19A1 (0.48) CYP19A1NR3C1CYP11B2KCNA5OXTR
SCHEMBL4469601 0.86 KCNA5 (0.42) CYP19A1KCNA5
SCHEMBL4457667 0.84 KMT2A (0.39) CYP19A1KCNA5OXTRAVPR1A
SCHEMBL4461908 0.84 CYP19A1 (0.63) CYP19A1CYP11B2KCNA5NPY5RCYP3A4
SCHEMBL4460589 0.84 CYP19A1 (0.46) CYP19A1CYP11B2KCNA5CYP3A4
SCHEMBL4471213 0.83 KCNA5 (0.42) CYP19A1CYP11B2KCNA5OXTRALPL
SCHEMBL4457212 0.81 KCNA5 (0.42) CYP19A1KCNA5OXTRAVPR1A
SCHEMBL4464219 0.81 CYP19A1 (0.41) CYP19A1NR3C1CYP11B2KCNA5OXTR

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 8 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
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 CYP19A1 4359/4885NR3C1 4402/4885CYP11B2 1911/4885

“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.