SCHEMBL212357

SCHEMBL212357

CN(C(=O)NCc1cccc(F)c1Cl)C(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.36
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
GSK3B P49841 3/20 0.33
DYRK1A Q13627 3/20 0.33
EPHX2 P34913 1/20 0.32
TP53 P04637 1/20 0.32
ACHE P22303 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
BTK Q06187 1/20 0.31
HTR2A P28223 1/20 0.31
CDK9 P50750 1/20 0.31
WNT1 P04628 2/20 0.31
NTRK1 P04629 1/20 0.30

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
SCHEMBL211042 1.00 CCNT1 (0.36) CCNT1MDM4MDM2GPR119GSK3B
SCHEMBL209906 0.94 ACHE (0.36) CCNT1MDM4MDM2GPR119GSK3B
SCHEMBL209905 0.94 ACHE (0.36) CCNT1MDM4MDM2GPR119GSK3B
SCHEMBL212451 0.94 CCNT1 (0.37) CCNT1MDM4MDM2GPR119GSK3B
SCHEMBL212678 0.94 GPR119 (0.38) CCNT1MDM4MDM2GPR119GSK3B
SCHEMBL2838079 0.93 GSK3B (0.31) GSK3BDYRK1A
SCHEMBL4346944 0.92 ITGB3 (0.31) HTR2A
SCHEMBL212139 0.90 DYRK1A (0.34) MDM4MDM2GSK3BDYRK1AWNT1
SCHEMBL212140 0.90 DYRK1A (0.34) MDM4MDM2GSK3BDYRK1AWNT1
SCHEMBL212138 0.90 DYRK1A (0.34) MDM4MDM2GSK3BDYRK1AWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNT1 3725/4885MDM4 973/4885MDM2 2577/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CCNT1 3725/4885MDM4 973/4885MDM2 2577/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CCNT1 3725/4885MDM4 973/4885MDM2 2577/4885

“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.