SCHEMBL210692

SCHEMBL210692

CN1CCN(CCCC(COC(=O)Nc2cc3ccccc3cn2)N(C)C(=O)NCc2cccc(F)c2Cl)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.35
DYRK1A Q13627 5/20 0.35
DRD3 P35462 6/20 0.35
KCNH2 Q12809 2/20 0.35
FGFR1 P11362 5/20 0.34
KDR P35968 2/20 0.34
EGFR P00533 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
CTSK P43235 1/20 0.34
HTR1A P08908 3/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
DRD2 P14416 1/20 0.34
ABL1 P00519 1/20 0.33
WNT1 P04628 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MCHR1 Q99705 1/20 0.33
JAK3 P52333 1/20 0.32

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
SCHEMBL212386 1.00 GSK3B (0.35) GSK3BDYRK1ADRD3KCNH2FGFR1
SCHEMBL209817 0.94 DRD3 (0.34) DRD3KCNH2CTSKHTR1AHTR2A
SCHEMBL2725077 0.94 TMEM97 (0.33) GSK3BDYRK1ADRD3KCNH2FGFR3
SCHEMBL210972 0.94 DRD3 (0.33) GSK3BDYRK1ADRD3KCNH2CTSK
SCHEMBL212205 0.93 MAPT (0.39) GSK3BDYRK1AEGFRWNT1HRH3
SCHEMBL2725650 0.93 METAP1 (0.34) GSK3BDYRK1ADRD3KCNH2CTSK
SCHEMBL2726352 0.92 AHCY (0.33) GSK3BDYRK1ADRD3KCNH2CTSK
SCHEMBL2728456 0.90 CCKBR (0.33) GSK3BDYRK1ACTSKABL1WNT1
SCHEMBL213282 0.90 MAPK1 (0.36) GSK3BDYRK1ACTSKHTR2AWNT1
SCHEMBL2728208 0.89 QPCT (0.31) GSK3BDYRK1ADRD3KCNH2CTSK

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 8 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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO 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 GSK3B 776/4885DYRK1A 4356/4885DRD3 4375/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885DRD3 4375/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885DRD3 4375/4885

“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.