SCHEMBL360380

SCHEMBL360380

Cc1cccn2cc(-c3ccc(CC(CNC(=O)CN(C)C)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.85
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
KIFC1 Q9BW19 1/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
PKM P14618 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL2106962 1.00 CENPE (0.85) CENPEKDM4EALDH1A1KMT2AMAPT
SCHEMBL3462519 0.93 CENPE (0.85) CENPEKDM4EALDH1A1KMT2AMAPT
SCHEMBL13161478 0.93 CENPE (0.85) CENPEKDM4EALDH1A1KMT2AMAPT
SCHEMBL3462400 0.92 CENPE (0.73) CENPEKDM4EALDH1A1KMT2AMAPT
SCHEMBL13161626 0.92 CENPE (0.73) CENPEKDM4EALDH1A1KMT2AMAPT
Gsk-923295A SCHEMBL2101077 0.92 CENPE (1.00) CENPEKDM4EALDH1A1KMT2AMAPT
Gsk-923295A SCHEMBL1492164 0.92 CENPE (1.00) CENPEKDM4EALDH1A1KMT2AMAPT
Gsk-923295A SCHEMBL29379288 0.92 CENPE (1.00) CENPEKDM4EALDH1A1KMT2AMAPT
Gsk-923295A SCHEMBL368558 0.92 CENPE (1.00) CENPEKDM4EALDH1A1KMT2AMAPT
Gsk-923295A SCHEMBL10215273 0.92 CENPE (1.00) CENPEKDM4EALDH1A1KMT2AMAPT

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
EP-2582682-B1 MITOTIC KINESIN INHIBITORS FOR USE IN THE TREATMETNOF PULMONARY ARTERIAL HYPERTENSION CYTOKINETICS INC (US) 2015-01-14 EP claimed
US-20130210733-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. 2013-08-15 US claimed
EP-2582682-A1 METHODS OF TREATING LUNG DISEASE Cytokinetics, Inc. (US) 2013-04-24 EP claimed
WO-2012009097-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. (US) 2012-01-19 WO claimed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US claimed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US claimed
EP-2582682-B1 MITOTIC KINESIN INHIBITORS FOR USE IN THE TREATMETNOF PULMONARY ARTERIAL HYPERTENSION CYTOKINETICS INC (US) 2015-01-14 EP disclosed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130210733-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. 2013-08-15 US disclosed
EP-2582682-A1 METHODS OF TREATING LUNG DISEASE Cytokinetics, Inc. (US) 2013-04-24 EP 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
WO-2012009097-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. (US) 2012-01-19 WO disclosed
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
CN-101023057-A Certain chemicals, compositions, and methods CYTOKINETICS INC (US) 2007-08-22 CN 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
US-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INCORPORATED 2006-05-04 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-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide KIF5B, KIF18A, KIF2C CENPE 522/4885KDM4E 962/4885ALDH1A1 1729/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KDM4E 3267/4885ALDH1A1 2159/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KDM4E 3267/4885ALDH1A1 2159/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KDM4E 3267/4885ALDH1A1 2159/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885KDM4E 3116/4885ALDH1A1 1977/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KDM4E 3267/4885ALDH1A1 2159/4885
US-20130210733-A1 METHODS OF TREATING LUNG DISEASE KIF5B, KIF2C, KIF18B CENPE 70/4885KDM4E 2636/4885ALDH1A1 2283/4885

“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.