SCHEMBL212678

SCHEMBL212678

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.38
CCNT1 O60563 2/20 0.34
CXCR2 P25025 1/20 0.34
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
EPHX2 P34913 1/20 0.33
HTR2A P28223 1/20 0.33
ACHE P22303 1/20 0.33
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
BTK Q06187 1/20 0.32
WNT1 P04628 2/20 0.31
CYP3A4 P08684 1/20 0.31
SCN9A Q15858 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL211629 0.94 GPR119 (0.39) GPR119CCNT1CXCR2GSK3BDYRK1A
SCHEMBL211042 0.94 CCNT1 (0.36) GPR119CCNT1GSK3BDYRK1AEPHX2
SCHEMBL212357 0.94 CCNT1 (0.36) GPR119CCNT1GSK3BDYRK1AEPHX2
SCHEMBL4344353 0.92 MET (0.32) GSK3BDYRK1AHTR2AWNT1
SCHEMBL2725885 0.90 DYRK1A (0.34) GSK3BDYRK1AWNT1
SCHEMBL212677 0.89 GPR119 (0.37) GPR119CCNT1CXCR2GSK3BDYRK1A
SCHEMBL209905 0.88 ACHE (0.36) GPR119CCNT1GSK3BDYRK1AEPHX2
SCHEMBL209906 0.88 ACHE (0.36) GPR119CCNT1GSK3BDYRK1AEPHX2
SCHEMBL212451 0.88 CCNT1 (0.37) GPR119CCNT1GSK3BDYRK1AEPHX2
SCHEMBL2838079 0.86 GSK3B (0.31) GSK3BDYRK1A

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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GPR119 1271/4885CCNT1 3725/4885CXCR2 3741/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GPR119 1271/4885CCNT1 3725/4885CXCR2 3741/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GPR119 1271/4885CCNT1 3725/4885CXCR2 3741/4885

“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.