SCHEMBL4460618

SCHEMBL4460618

CCOc1ccc(N(c2cccc(NC(=O)OC(C)(C)C)n2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.37
NAMPT P43490 2/20 0.37
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 2/20 0.34
ROCK2 O75116 2/20 0.33
METAP1 P53582 1/20 0.33
ACACB O00763 1/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 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
SCHEMBL4461814 0.80 NAMPT (0.36) NAMPTRAB9ACYP3A4
SCHEMBL4453034 0.79 KCNA5 (0.33) MAPTNPC1
SCHEMBL4453052 0.79 ALDH1A1 (0.40) NAMPTKMT2AROCK2
SCHEMBL4462113 0.78 ALDH1A1 (0.40) NAMPTKMT2AROCK2
SCHEMBL4459300 0.77 KCNA5 (0.36) MAPTNPC1
SCHEMBL13971747 0.77 CYP2C9 (0.38) MAPTMEN1KMT2ANPC1CYP3A4
SCHEMBL14435380 0.76 ROCK2 (0.36) MAPTKMT2AROCK2CYP3A4
SCHEMBL4464191 0.75 KMT2A (0.39) NAMPTMEN1KMT2AROCK2
SCHEMBL4458292 0.75 POLB (0.42) MAPTPKM
SCHEMBL4461703 0.75 KCNA5 (0.43) MAPTMEN1KMT2ANPC1

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
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 MAPK8 1359/4885NAMPT 2263/4885MAPT 2245/4885

“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.