SCHEMBL212140

SCHEMBL212140

CN(C(=O)NCc1cccc(F)c1Cl)C(CCC(=O)N1CCNCC1)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.34
GSK3B P49841 5/20 0.34
SYK P43405 1/20 0.32
WNT1 P04628 3/20 0.32
BDKRB1 P46663 1/20 0.32
ABL1 P00519 2/20 0.30
MDM4 O15151 1/20 0.30
MDM2 Q00987 1/20 0.30
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
SCHEMBL212138 1.00 DYRK1A (0.34) DYRK1AGSK3BSYKWNT1BDKRB1
SCHEMBL212139 1.00 DYRK1A (0.34) DYRK1AGSK3BSYKWNT1BDKRB1
SCHEMBL212334 0.94 SYK (0.33) DYRK1AGSK3BSYKBDKRB1
SCHEMBL212336 0.94 SYK (0.33) DYRK1AGSK3BSYKBDKRB1
SCHEMBL212335 0.94 SYK (0.33) DYRK1AGSK3BSYKBDKRB1
SCHEMBL2723237 0.94 DYRK1A (0.34) DYRK1AGSK3BSYKWNT1BDKRB1
SCHEMBL2725885 0.94 DYRK1A (0.34) DYRK1AGSK3BSYKWNT1BDKRB1
SCHEMBL4346944 0.93 ITGB3 (0.31) ABL1
SCHEMBL9607919 0.93 DYRK1A (0.34) DYRK1AGSK3BSYKWNT1BDKRB1
SCHEMBL2838079 0.91 GSK3B (0.31) DYRK1AGSK3B

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 DYRK1A 4356/4885GSK3B 776/4885SYK 2120/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 DYRK1A 4356/4885GSK3B 776/4885SYK 2120/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 DYRK1A 4356/4885GSK3B 776/4885SYK 2120/4885

“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.