SCHEMBL4366846

SCHEMBL4366846

Cc1nc(C(NC(=O)OC(C)(C)C)C(C)C)n(Cc2ccccc2)c(=O)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.42
CTSK P43235 6/20 0.42
CTSB P07858 3/20 0.42
CTSL P07711 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
ACE P12821 1/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL13956803 0.89 P2RX7 (0.42) CTSSCTSKCTSBCTSLACE
SCHEMBL4365067 0.88 CTSS (0.42) CTSSCTSKCTSBCTSLSMN1; SMN2
SCHEMBL4363431 0.85 AR (0.41) CTSSCTSKACEAPPALDH1A1
SCHEMBL4365764 0.84 P2RX7 (0.41) CTSSCTSKCTSBCTSLACE
SCHEMBL13956769 0.81 BRD4 (0.42) CTSSCTSKCTSBCTSLHTT
SCHEMBL4367300 0.80 KIF11 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3493003 0.79 GAA (0.53) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL3235885 0.79 GAA (0.53) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5649327 0.78 KIF11 (0.50) SMN1; SMN2APPALDH1A1CYP3A4CYP2C19
SCHEMBL5648475 0.78 KIF11 (0.50) SMN1; SMN2APPALDH1A1CYP3A4CYP2C19

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 CTSS 1586/4885CTSK 1454/4885CTSB 1157/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 CTSS 1586/4885CTSK 1454/4885CTSB 1157/4885

“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.