SCHEMBL211628

SCHEMBL211628

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.38
ACHE P22303 2/20 0.36
CXCR2 P25025 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
EPHX2 P34913 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CYP3A4 P08684 1/20 0.33
SCN9A Q15858 1/20 0.33
CCNT1 O60563 1/20 0.33
BTK Q06187 1/20 0.33
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
KDR P35968 1/20 0.31
DYRK2 Q92630 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
SCHEMBL212677 0.94 GPR119 (0.37) GPR119ACHECXCR2PDE3BPDE3A
SCHEMBL212274 0.94 ACHE (0.36) GPR119ACHEPDE3BPDE3AEPHX2
SCHEMBL4351837 0.91 CCNK (0.32) TRPV1CYP3A4SCN9A
SCHEMBL211629 0.89 GPR119 (0.39) GPR119ACHECXCR2PDE3BPDE3A
SCHEMBL211041 0.88 CCNT1 (0.36) GPR119ACHEPDE3BPDE3AEPHX2
SCHEMBL212128 0.87 USP30 (0.39) GPR119ACHECXCR2CYP3A4SCN9A
SCHEMBL4344351 0.86 ITGB3 (0.32) GSK3BDYRK1A
SCHEMBL212645 0.85 CCR3 (0.31) ACHECCNT1
SCHEMBL4354879 0.85 ITGB3 (0.32) TRPV1
SCHEMBL212477 0.85 CTSK (0.35) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
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-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-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-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 1271/4885ACHE 98/4885CXCR2 3741/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GPR119 1271/4885ACHE 98/4885CXCR2 3741/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GPR119 1271/4885ACHE 98/4885CXCR2 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.