SCHEMBL2103632

SCHEMBL2103632

CC(C)Nc1cc[c]cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CLK1 P49759 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
S1PR3 Q99500 1/20 0.31
CDK2 P24941 1/20 0.31
CTSK P43235 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL2103875 0.83 AR (0.34)
SCHEMBL6971569 0.79 ROCK2 (0.38)
SCHEMBL7522470 0.75 L3MBTL1 (0.53) LRRK2L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL9526931 0.73 AOC1 (0.33) IDO1
SCHEMBL2103829 0.73 NR4A2 (0.35) ALDH1A1HPGDKDM4ELMNAIDO1
SCHEMBL16952419 0.71 KDM5A (0.32)
SCHEMBL2183203 0.70 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1KDM4ELMNAIDO1
SCHEMBL28844083 0.69 NR4A2 (0.35) ALDH1A1HPGDKDM4ELMNAIDO1
SCHEMBL3392700 0.69 AOC1 (0.47) LRRK2L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL7112683 0.69 PDE3B (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US claimed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US claimed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
EP-1942899-A2 MITOTIC KINESIN INHIBITORS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US claimed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 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 (7 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 LRRK2 1580/4885L3MBTL1 2781/4885ALDH1A1 2159/4885
US-20070197640-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 LRRK2 1580/4885L3MBTL1 2781/4885ALDH1A1 2159/4885
US-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 LRRK2 1580/4885L3MBTL1 2781/4885ALDH1A1 2159/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 LRRK2 1580/4885L3MBTL1 2781/4885ALDH1A1 2159/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 LRRK2 1580/4885L3MBTL1 2781/4885ALDH1A1 2159/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 LRRK2 1758/4885L3MBTL1 2793/4885ALDH1A1 1977/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 LRRK2 1580/4885L3MBTL1 2781/4885ALDH1A1 2159/4885

“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.