SCHEMBL4186883

SCHEMBL4186883

NC(=O)c1cccnc1-c1ncccc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
TDP1 Q9NUW8 1/20 0.65
PARP1 P09874 1/20 0.60
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
NAPRT Q6XQN6 2/20 0.50
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
AHR P35869 1/20 0.49
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL14324876 0.92 KDM4E (0.81) KDM4ETDP1PARP1ALDH1A1HPGD
SCHEMBL29916420 0.86 KDM4E (0.55) KDM4ETDP1PARP1ALDH1A1HPGD
SCHEMBL945856 0.86 KDM4E (0.55) KDM4ETDP1PARP1ALDH1A1HPGD
SCHEMBL3620548 0.85 GRM5 (0.51) KDM4ETDP1PARP1ALDH1A1HPGD
SCHEMBL16059482 0.85 PARP1 (0.50) KDM4ETDP1PARP1ALDH1A1HPGD
SCHEMBL31660092 0.85 PARP1 (0.50) KDM4ETDP1PARP1ALDH1A1HPGD
SCHEMBL29455925 0.83 GRM5 (0.50) KDM4ETDP1PARP1ALDH1A1HPGD
SCHEMBL30108233 0.83 PARP1 (0.49) KDM4ETDP1PARP1ALDH1A1HPGD
SCHEMBL1571384 0.82 MKNK1 (0.55) KDM4ETDP1PARP1
SCHEMBL19520186 0.82 PARP1 (0.47) KDM4ETDP1PARP1ALDH1A1HPGD

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 KDM4E 1929/4885TDP1 1037/4885PARP1 954/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 KDM4E 1929/4885TDP1 1037/4885PARP1 954/4885
US-20040082567-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KDM4E 1780/4885TDP1 879/4885PARP1 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.