SCHEMBL4365067

SCHEMBL4365067

Cc1c(C#N)nc(C(NC(=O)OC(C)(C)C)C(C)C)n(Cc2ccccc2)c1=O

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
P2RX7 Q99572 1/20 0.41
EGLN1 Q9GZT9 3/20 0.40
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
BRD4 O60885 1/20 0.40
APP P05067 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIF11 P52732 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
SCHEMBL4366846 0.88 CTSS (0.42) CTSSCTSKCTSBCTSLP2RX7
SCHEMBL13956803 0.88 P2RX7 (0.42) CTSSCTSKCTSBCTSLP2RX7
SCHEMBL4365764 0.87 P2RX7 (0.41) CTSSCTSKCTSBCTSLP2RX7
SCHEMBL4363431 0.81 AR (0.41) CTSSCTSKP2RX7BRD4APP
SCHEMBL13956769 0.80 BRD4 (0.42) CTSSCTSKCTSBCTSLP2RX7
SCHEMBL6469621 0.79 EGLN1 (0.40) EGLN1SMN1; SMN2NPC1MITFHTT
SCHEMBL14563396 0.78 SCD (0.43) CTSSCTSKCTSBCTSLBRD4
SCHEMBL3493003 0.78 GAA (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3235885 0.78 GAA (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5649327 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.