SCHEMBL4454542

SCHEMBL4454542

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KCNA5 P22460 3/20 0.37
OXTR P30559 1/20 0.36
CYP3A4 P08684 5/20 0.35
CYP3A5 P20815 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHR1 P34998 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
SCHEMBL4457212 0.92 KCNA5 (0.42) CYP19A1KMT2AKCNA5OXTR
SCHEMBL4469601 0.89 KCNA5 (0.42) CYP19A1KMT2AMEN1KCNA5SMN1; SMN2
SCHEMBL4461835 0.89 CYP19A1 (0.40) CYP19A1KMT2AKCNA5OXTR
SCHEMBL4458827 0.89 CYP19A1 (0.43) CYP19A1KCNA5CYP3A4CYP3A5MAPT
SCHEMBL4457675 0.88 KCNA5 (0.41) CYP19A1KCNA5OXTRCRHR1
SCHEMBL4466454 0.85 CYP19A1 (0.48) CYP19A1KCNA5OXTRCYP3A4
SCHEMBL14435025 0.85 KCNA5 (0.38) CYP19A1KCNA5OXTR
SCHEMBL4470602 0.82 KCNA5 (0.35) CYP19A1KMT2AMEN1KCNA5OXTR
SCHEMBL4457667 0.82 KMT2A (0.39) CYP19A1KMT2AMEN1KCNA5OXTR
SCHEMBL4456687 0.82 POLB (0.39) CYP19A1KMT2AMEN1KCNA5OXTR

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 7 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

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 4359/4885KMT2A 130/4885MEN1 1188/4885

“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.