SCHEMBL4368388

SCHEMBL4368388

CCOC(=O)c1cnc(CC(C)CNC(=O)OC(C)(C)C)n(Cc2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
P2RX3 P56373 6/20 0.42
SYK P43405 1/20 0.42
KDM4E B2RXH2 4/20 0.42
TSHR P16473 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 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
SCHEMBL4368382 0.80 CRHBP (0.43) CRHBPCRHR2P2RX3KDM4ETSHR
SCHEMBL4363435 0.79 PCSK9 (0.42) SYKKDM4EPCSK9ALDH1A1KMT2A
SCHEMBL4373507 0.78 KIF11 (0.43) CRHBPCRHR2P2RX3KDM4ETSHR
SCHEMBL2736627 0.73 ATM (0.56) SYKPCSK9KMT2A
SCHEMBL10238709 0.73 ATM (0.56) SYKPCSK9KMT2A
SCHEMBL9894331 0.72 MAPT (0.56) KDM4ETSHRALDH1A1HPGDKMT2A
SCHEMBL31558583 0.68 KDM4E (0.51) KDM4ETSHRALDH1A1HPGDKMT2A
SCHEMBL1185840 0.68 SYK (0.57) SYKTSHR
SCHEMBL13120820 0.68 MAPK8 (0.49) KDM4ETSHRALDH1A1KMT2ARAB9A
SCHEMBL3164830 0.66 MKNK2 (0.41) SYKKDM4ETSHRALDH1A1NPSR1

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 CRHBP 1777/4885CRHR2 4432/4885P2RX3 4782/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 CRHBP 1777/4885CRHR2 4432/4885P2RX3 4782/4885

“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.