SCHEMBL2617455

SCHEMBL2617455

CC(Oc1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1Cl)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.54
DHODH Q02127 8/20 0.38
SLC6A9 P48067 3/20 0.37
SLC6A5 Q9Y345 1/20 0.37
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2617347 1.00 RORC (0.54) RORCDHODHSLC6A9SLC6A5TAS1R3
SCHEMBL2104690 0.87 RORC (0.48) RORCTAS1R3TAS1R1MEN1NPC1
SCHEMBL10088912 0.84 RORC (0.62) RORCDHODHTAS1R3TAS1R1MEN1
SCHEMBL14531483 0.81 RORC (0.43) RORCTAS1R3TAS1R1MEN1NPC1
SCHEMBL2617346 0.81 RORC (0.61) RORCMEN1NPC1RAB9AKMT2A
SCHEMBL1796695 0.81 RORC (0.61) RORCMEN1NPC1RAB9AKMT2A
SCHEMBL2104538 0.80 RORC (0.60) RORCDHODHSLC6A9SLC6A5TAS1R3
SCHEMBL13637551 0.74 PDK2 (0.53) RORCTAS1R3TAS1R1MAPTSMN1; SMN2
SCHEMBL14531511 0.74 HSP90AA1 (0.46) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13625234 0.73 HPGD (0.40) TAS1R3TAS1R1MEN1MAPTKMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-7618981-B2 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, INC. (US) 2009-11-17 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US 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 RORC 1743/4885DHODH 1141/4885SLC6A9 4724/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 RORC 1422/4885DHODH 1183/4885SLC6A9 4730/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 RORC 1743/4885DHODH 1141/4885SLC6A9 4724/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 RORC 1743/4885DHODH 1141/4885SLC6A9 4724/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 RORC 1743/4885DHODH 1141/4885SLC6A9 4724/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 RORC 1743/4885DHODH 1141/4885SLC6A9 4724/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 RORC 1743/4885DHODH 1141/4885SLC6A9 4724/4885

“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.