SCHEMBL361222

SCHEMBL361222

CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.46
DHODH Q02127 6/20 0.38
KIFC1 Q9BW19 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
RORC P51449 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
S1PR1 P21453 3/20 0.34
NPC1 O15118 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL2617446 1.00 CENPE (0.46) CENPEDHODHKIFC1TAS1R3TAS1R1
SCHEMBL4398704 1.00 CENPE (0.46) CENPEDHODHKIFC1TAS1R3TAS1R1
SCHEMBL13625028 1.00 CENPE (0.46) CENPEDHODHKIFC1TAS1R3TAS1R1
SCHEMBL2102790 0.94 CENPE (0.52) CENPEKIFC1TAS1R3TAS1R1PDK1
SCHEMBL2102791 0.94 CENPE (0.52) CENPEKIFC1TAS1R3TAS1R1PDK1
SCHEMBL13161783 0.92 CENPE (0.46) CENPEDHODHKIFC1TAS1R3TAS1R1
SCHEMBL362036 0.92 CENPE (0.46) CENPEDHODHKIFC1TAS1R3TAS1R1
SCHEMBL3460995 0.90 DHODH (0.45) CENPEDHODHTAS1R3TAS1R1RORC
SCHEMBL13161551 0.90 DHODH (0.45) CENPEDHODHTAS1R3TAS1R1RORC
SCHEMBL3233612 0.90 CENPE (0.44) CENPEDHODHKIFC1TAS1R3TAS1R1

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 46 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-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US 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
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US claimed
WO-2012009097-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. (US) 2012-01-19 WO 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-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US 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-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US 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 (5 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 522/4885DHODH 2390/4885KIFC1 9/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885DHODH 1141/4885KIFC1 4/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885DHODH 1183/4885KIFC1 5/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885DHODH 1141/4885KIFC1 4/4885
US-20130210733-A1 METHODS OF TREATING LUNG DISEASE KIF5B, KIF2C, KIF18B CENPE 70/4885DHODH 944/4885KIFC1 11/4885

“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.