SCHEMBL2104535

SCHEMBL2104535

CC(C)Oc1ccccc1C(=O)NN

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.67
CTSD P07339 1/20 0.67
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 2/20 0.53
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
PRMT5 O14744 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ACHE P22303 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
HCN1 O60741 1/20 0.47
HCN4 Q9Y3Q4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BRPF1 P55201 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL19531891 0.84 IRAK4 (0.64) IRAK4CTSDMEN1KMT2AKCNK3
SCHEMBL9963200 0.84 IRAK4 (0.64) IRAK4CTSDKCNK3KCNK9IDO1
SCHEMBL19537451 0.83 IRAK4 (0.58) IRAK4CTSDKCNK3KCNK9IDO1
SCHEMBL29646356 0.83 CTSD (0.62) CTSDMEN1KMT2AALDH1A1KDM4E
SCHEMBL22987538 0.83 CTSD (0.62) CTSDMEN1KMT2AALDH1A1KDM4E
SCHEMBL28352325 0.83 CTSD (0.62) IRAK4CTSDMEN1KMT2AALDH1A1
SCHEMBL295407 0.80 CTSD (1.00) CTSDMEN1KMT2AKCNK3KCNK9
SCHEMBL2103513 0.80 IRAK4 (1.00) IRAK4MEN1KMT2AKCNK3KCNK9
SCHEMBL2154267 0.80 IRAK4 (0.68) IRAK4CTSDKMT2AKCNK3KCNK9
SCHEMBL30349208 0.80 CTSD (1.00) CTSDMEN1KMT2AKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 IRAK4 4639/4885CTSD 2727/4885MEN1 1302/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 IRAK4 4610/4885CTSD 2716/4885MEN1 1475/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 IRAK4 4639/4885CTSD 2727/4885MEN1 1302/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 IRAK4 4639/4885CTSD 2727/4885MEN1 1302/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 IRAK4 4639/4885CTSD 2727/4885MEN1 1302/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 IRAK4 4639/4885CTSD 2727/4885MEN1 1302/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 IRAK4 4610/4885CTSD 2716/4885MEN1 1475/4885

“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.