SCHEMBL4363435

SCHEMBL4363435

COC(=O)c1c(C)nc(CC(C)CNC(=O)OC(C)(C)C)n(Cc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.42
AR P10275 1/20 0.40
SYK P43405 1/20 0.39
CYP3A4 P08684 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
AKT1 P31749 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
BRD4 O60885 1/20 0.38
KIF11 P52732 1/20 0.38
CPB2 Q96IY4 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GNRHR P30968 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL4363431 0.79 AR (0.41) ARCYP3A4SCN9ASCN10AAKT1
SCHEMBL4368388 0.79 CRHBP (0.43) PCSK9SYKALDH1A1GAAMAPT
SCHEMBL5250052 0.75 KIF11 (0.40) PCSK9MAPTBRD4KIF11SMN1; SMN2
SCHEMBL2736627 0.74 ATM (0.56) PCSK9SYKAKT1ATMKMT2A
SCHEMBL10238709 0.74 ATM (0.56) PCSK9SYKAKT1ATMKMT2A
SCHEMBL5248653 0.74 KIF11 (0.42) CYP3A4AKT1BRD4KIF11ATM
SCHEMBL4753094 0.72 GNRHR (0.41) CYP3A4SCN9ASCN10AMAPTPKM
SCHEMBL4753082 0.72 TLR7 (0.41) CYP3A4SCN9ASCN10ABRD4KIF11
SCHEMBL5754954 0.70 KIF11 (0.43) CYP3A4SCN9ASCN10AALDH1A1BRD4
SCHEMBL13120813 0.69 AR (0.48) ARCYP3A4ALDH1A1GAAMAPT

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-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 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 (2 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-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 PCSK9 3478/4885AR 2419/4885SYK 4518/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 PCSK9 3478/4885AR 2419/4885SYK 4518/4885

“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.