SCHEMBL211683

SCHEMBL211683

CC(C)(O)C[C@@H](COC(=O)Nc1cc2cc(F)ccc2cn1)N(CCC([NH])=O)Cc1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.33
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
DYRK1A Q13627 3/20 0.30
GSK3B P49841 2/20 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
SCHEMBL213219 0.94 ABL1 (0.33) ABL1MAPK1ALDH1A1DYRK1AGSK3B
SCHEMBL213284 0.86 ABL1 (0.34) ABL1MAPK1JAK2TYK2DYRK1A
SCHEMBL211931 0.82 ANO1 (0.36) ABL1MAPK1ALDH1A1MAPT
SCHEMBL211682 0.81 ANO1 (0.35) ABL1MAPK1ALDH1A1MAPTDYRK1A
SCHEMBL8511079 0.81 MAPK1 (0.37) ABL1MAPK1DYRK1AGSK3B
SCHEMBL213283 0.81 NPC1 (0.35) ABL1MAPK1ALDH1A1MAPTJAK2
SCHEMBL210903 0.81 ABL1 (0.34) ABL1MAPK1ALDH1A1DYRK1AGSK3B
SCHEMBL2725125 0.79 ABL1 (0.37) ABL1
SCHEMBL212353 0.76 P2RX7 (0.36) ABL1
SCHEMBL212408 0.75 ANO1 (0.34) ABL1MAPK1DYRK1AGSK3B

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 9 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-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
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 ABL1 956/4885MAPK1 2926/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885MAPK1 2926/4885ALDH1A1 1710/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885MAPK1 2926/4885ALDH1A1 1710/4885

“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.