SCHEMBL2106356

SCHEMBL2106356

CC(C)Oc1ccc(C(=O)NN(Cc2ccc(OCc3ccccc3)cc2)C(=O)NCC(N)=O)cc1Cl.CNC(=O)N(Cc1ccc(NC(=O)c2ccccc2)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1.CNC(=O)N(Cc1cccc(OCc2ccccc2)c1)NC(=O)c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.44
KMT2A Q03164 9/20 0.42
MEN1 O00255 8/20 0.42
CENPE Q02224 1/20 0.42
ROCK2 O75116 2/20 0.41
MAPT P10636 7/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL2103976 0.89 SPHK2 (0.46) SPHK2KMT2AMEN1CENPEMAPT
SCHEMBL2103625 0.86 PTGES (0.48) SPHK2KMT2AMEN1CENPEMAPT
SCHEMBL2103273 0.85 CENPE (0.50) KMT2AMEN1CENPEMAPTNPC1
SCHEMBL2104733 0.84 CENPE (0.56) KMT2AMEN1CENPEROCK2MAPT
SCHEMBL13162513 0.78 CENPE (0.55) KMT2AMEN1CENPEROCK2MAPT
SCHEMBL4721237 0.78 SPHK2 (0.44) SPHK2KMT2ACENPEKDM4EALDH1A1
SCHEMBL2104713 0.78 CENPE (0.48) KMT2AMEN1CENPENPC1RAB9A
SCHEMBL14031509 0.76 CENPE (0.50) KMT2AMEN1CENPEROCK2MAPT
SCHEMBL2103268 0.75 CENPE (0.56) KMT2AMEN1CENPEROCK2MAPT
SCHEMBL4721235 0.74 CENPE (0.44) SPHK2KMT2AMEN1CENPEMAPT

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 10 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-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US 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 SPHK2 1944/4885KMT2A 1501/4885MEN1 1302/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 SPHK2 1539/4885KMT2A 1491/4885MEN1 1475/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 SPHK2 1944/4885KMT2A 1501/4885MEN1 1302/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 SPHK2 1944/4885KMT2A 1501/4885MEN1 1302/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 SPHK2 1944/4885KMT2A 1501/4885MEN1 1302/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 SPHK2 1944/4885KMT2A 1501/4885MEN1 1302/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 SPHK2 1539/4885KMT2A 1491/4885MEN1 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.