SCHEMBL4365764

SCHEMBL4365764

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
BRD4 O60885 1/20 0.40
ABCB1 P08183 1/20 0.39
KIF11 P52732 1/20 0.39
ATM Q13315 2/20 0.39
ACE P12821 1/20 0.39
APP P05067 1/20 0.38
PPARG P37231 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
AKT1 P31749 1/20 0.38
MAPT P10636 1/20 0.38
CTSS P25774 3/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CYP3A4 P08684 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 0.91 P2RX7 (0.42) P2RX7BRD4ABCB1KIF11ATM
SCHEMBL4365067 0.87 CTSS (0.42) P2RX7BRD4KIF11APPTSHR
SCHEMBL4366846 0.84 CTSS (0.42) P2RX7BRD4KIF11ATMACE
SCHEMBL4363431 0.84 AR (0.41) P2RX7BRD4ABCB1KIF11ATM
SCHEMBL13956769 0.83 BRD4 (0.42) P2RX7BRD4ABCB1ATMACE
SCHEMBL3493003 0.81 GAA (0.53) LMNATSHRMAPTCYP3A4
SCHEMBL3235885 0.81 GAA (0.53) LMNATSHRMAPTCYP3A4
SCHEMBL5649327 0.81 KIF11 (0.50) KIF11APPCYP3A4
SCHEMBL5646819 0.81 KIF11 (0.50) KIF11APPCYP3A4
SCHEMBL5648475 0.81 KIF11 (0.50) KIF11APPCYP3A4

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 13 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-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-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
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
EP-1682534-A2 PYRIMIDIN-4-ONE COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-26 EP disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
US-20050197327-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2005-09-08 US disclosed
WO-2005041888-A2 PYRIMIDIN-4-ONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-05-12 WO 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 (3 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 P2RX7 4803/4885BRD4 1858/4885ABCB1 2625/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 P2RX7 4803/4885BRD4 1858/4885ABCB1 2625/4885
US-20050197327-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 P2RX7 4776/4885BRD4 1727/4885ABCB1 2536/4885

“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.