SCHEMBL212274

SCHEMBL212274

CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
CCNT1 O60563 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
EPHX2 P34913 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
BTK Q06187 1/20 0.32
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
KDR P35968 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP3A5 P20815 2/20 0.31
MAP3K5 Q99683 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 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
SCHEMBL211041 0.94 CCNT1 (0.36) ACHECCNT1GPR119PDE3BPDE3A
SCHEMBL211628 0.94 GPR119 (0.38) ACHECCNT1GPR119PDE3BPDE3A
SCHEMBL4354879 0.92 ITGB3 (0.32) TRPV1
SCHEMBL212645 0.91 CCR3 (0.31) ACHECCNT1
SCHEMBL209906 0.89 ACHE (0.36) ACHECCNT1GPR119PDE3BPDE3A
SCHEMBL209905 0.89 ACHE (0.36) ACHECCNT1GPR119PDE3BPDE3A
SCHEMBL212677 0.88 GPR119 (0.37) ACHECCNT1GPR119PDE3BPDE3A
SCHEMBL212450 0.88 CCNT1 (0.37) ACHECCNT1GPR119MDM4MDM2
SCHEMBL211037 0.87 ACHE (0.32) ACHECCNT1TRPV1MAP3K5
SCHEMBL211568 0.86 USP30 (0.38) ACHEGPR119MDM4MDM2KDM1A

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 ACHE 98/4885CCNT1 3725/4885GPR119 1271/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ACHE 98/4885CCNT1 3725/4885GPR119 1271/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ACHE 98/4885CCNT1 3725/4885GPR119 1271/4885

“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.