SCHEMBL212451

SCHEMBL212451

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.37
GPR119 Q8TDV5 4/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
BTK Q06187 1/20 0.33
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.33
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
EPHX2 P34913 1/20 0.32
HTR2A P28223 1/20 0.32
KDR P35968 1/20 0.31
CDK9 P50750 1/20 0.31
WNT1 P04628 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL212357 0.94 CCNT1 (0.36) CCNT1GPR119GSK3BDYRK1ABTK
SCHEMBL211042 0.94 CCNT1 (0.36) CCNT1GPR119GSK3BDYRK1ABTK
SCHEMBL4346895 0.92 ABL1 (0.31) GSK3BDYRK1AWNT1
SCHEMBL211885 0.91 CCNT1 (0.40) CCNT1GPR119TP53MAPT
SCHEMBL2722944 0.90 DDR1 (0.35) GSK3BDYRK1ABTKWNT1
SCHEMBL2723237 0.90 DYRK1A (0.34) GSK3BDYRK1AWNT1
SCHEMBL212450 0.89 CCNT1 (0.37) CCNT1GPR119GSK3BDYRK1ATP53
SCHEMBL209905 0.88 ACHE (0.36) CCNT1GPR119GSK3BDYRK1ABTK
SCHEMBL209906 0.88 ACHE (0.36) CCNT1GPR119GSK3BDYRK1ABTK
SCHEMBL212678 0.88 GPR119 (0.38) CCNT1GPR119GSK3BDYRK1ABTK

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 15 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-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-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 CCNT1 3725/4885GPR119 1271/4885GSK3B 776/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CCNT1 3725/4885GPR119 1271/4885GSK3B 776/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CCNT1 3725/4885GPR119 1271/4885GSK3B 776/4885

“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.