SCHEMBL215415

SCHEMBL215415

[CH2]CCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
ABL1 P00519 8/20 0.33
NOTUM Q6P988 1/20 0.33
PIN1 Q13526 1/20 0.31
DYRK1A Q13627 3/20 0.31
GSK3B P49841 2/20 0.31
WNT1 P04628 1/20 0.31
QPCT Q16769 1/20 0.30
NTRK1 P04629 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MET P08581 1/20 0.30
MTOR P42345 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
SCHEMBL4346238 1.00 CTSK (0.36) CTSKABL1NOTUMPIN1DYRK1A
SCHEMBL4348546 0.96 CTSK (0.36) CTSKABL1NOTUMPIN1NTRK1
SCHEMBL4347816 0.96 CTSK (0.36) CTSKABL1NOTUMPIN1NTRK1
SCHEMBL4342530 0.93 ABL1 (0.35) ABL1DYRK1AGSK3BWNT1
SCHEMBL212607 0.92 CTSK (0.35) CTSKABL1NOTUMDYRK1AGSK3B
SCHEMBL214678 0.92 CTSK (0.36) CTSKABL1NOTUMPIN1ALDH1A1
SCHEMBL212192 0.92 CTSK (0.36) CTSKABL1NOTUMPIN1ALDH1A1
SCHEMBL210483 0.92 CTSK (0.36) CTSKABL1NOTUMPIN1
SCHEMBL210485 0.92 CTSK (0.36) CTSKABL1NOTUMPIN1
SCHEMBL211133 0.91 CTSK (0.35) CTSKABL1NOTUMPIN1ALDH1A1

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 10 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-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 CTSK 1455/4885ABL1 956/4885NOTUM 2164/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ABL1 956/4885NOTUM 2164/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ABL1 956/4885NOTUM 2164/4885

“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.