SCHEMBL212334

SCHEMBL212334

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCC(=O)N1CCNCC1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.33
BDKRB1 P46663 1/20 0.32
CTSK P43235 1/20 0.32
CCR4 P51679 2/20 0.32
REN P00797 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
MRGPRX1 Q96LB2 1/20 0.30
CCNK O75909 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 1/20 0.30
CDK12 Q9NYV4 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
SCHEMBL212335 1.00 SYK (0.33) SYKBDKRB1CTSKCCR4REN
SCHEMBL212336 1.00 SYK (0.33) SYKBDKRB1CTSKCCR4REN
SCHEMBL212140 0.94 DYRK1A (0.34) SYKBDKRB1GSK3BDYRK1A
SCHEMBL212139 0.94 DYRK1A (0.34) SYKBDKRB1GSK3BDYRK1A
SCHEMBL212138 0.94 DYRK1A (0.34) SYKBDKRB1GSK3BDYRK1A
SCHEMBL2726355 0.94 REN (0.33) CTSKRENCCNKCCNA2CDK2
SCHEMBL2726357 0.94 REN (0.33) CTSKRENCCNKCCNA2CDK2
SCHEMBL2725198 0.93 SYK (0.33) SYKBDKRB1CCR4RENHTR2C
SCHEMBL2727388 0.93 NTRK1 (0.34) SYKBDKRB1CTSKRENGSK3B
SCHEMBL4354883 0.93 CTSK (0.32) CTSKITGB3ITGAVCCNKCCNA2

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-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
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN 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 SYK 2120/4885BDKRB1 2260/4885CTSK 1455/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SYK 2120/4885BDKRB1 2260/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SYK 2120/4885BDKRB1 2260/4885CTSK 1455/4885

“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.