SCHEMBL4186880

SCHEMBL4186880

NC(=O)c1cnccc1-c1ncccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
SIRT3 Q9NTG7 2/20 0.53
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 4/20 0.44
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SIRT4 Q9Y6E7 1/20 0.43
HTT P42858 1/20 0.41
MKNK1 Q9BUB5 4/20 0.41
NUDT1 P36639 1/20 0.40
MKNK2 Q9HBH9 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL27967307 0.82 KDM4E (0.65) TDP1SIRT3KDM4EALDH1A1MAPT
SCHEMBL31227538 0.81 SIRT3 (0.58) TDP1SIRT3PARP1KDM4EF7
Hydrochloric Acid SCHEMBL27967302 0.81 KDM4E (0.62) TDP1SIRT3KDM4EALDH1A1MAPT
SCHEMBL4186883 0.80 KDM4E (0.65) TDP1PARP1KDM4EHTTALDH1A1
SCHEMBL1571384 0.79 MKNK1 (0.55) TDP1SIRT3PARP1KDM4EF7
SCHEMBL29575496 0.79 MKNK1 (0.55) TDP1SIRT3PARP1KDM4EF7
SCHEMBL31032109 0.78 SIRT3 (0.58) TDP1SIRT3PARP1KDM4EF7
SCHEMBL31660092 0.78 PARP1 (0.50) TDP1PARP1KDM4EMKNK2ALDH1A1
SCHEMBL28019336 0.78 MKNK1 (0.58) TDP1SIRT3F7F3SARM1
SCHEMBL16059482 0.78 PARP1 (0.50) TDP1PARP1KDM4EMKNK2ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US claimed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP claimed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP claimed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 US claimed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 WO claimed
EP-1539727-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CELLULAR PROLIFERATIVE DISEASES CYTOKINETICS INC (US) 2009-02-18 EP 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
EP-1539727-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2007-04-04 EP disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
EP-1556357-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
US-7041676-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2006-05-09 US disclosed
EP-1539727-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-06-15 EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20040116400-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-06-17 US disclosed
US-20040082567-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-04-29 US disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2004006865-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-01-22 WO disclosed
WO-2003106426-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-24 WO 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 TDP1 1037/4885SIRT3 2876/4885PARP1 954/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 TDP1 1037/4885SIRT3 2876/4885PARP1 954/4885
US-20040082567-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 TDP1 879/4885SIRT3 2556/4885PARP1 793/4885

“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.