SCHEMBL211610

SCHEMBL211610

CC(C([NH])=O)C(CNCc1cccc(F)c1Cl)OC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.39
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 1/20 0.37
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 2/20 0.33
ANO1 Q5XXA6 1/20 0.33
MAP3K7 O43318 1/20 0.33
MAP3K6 O95382 1/20 0.33
MAP3K5 Q99683 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GCK P35557 1/20 0.33
PDCD1LG2 Q9BQ51 3/20 0.33
CD274 Q9NZQ7 3/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 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
SCHEMBL2728665 0.80 CTSK (0.40) ABL1TDP1CTSKNOTUMALDH1A1
SCHEMBL210875 0.80 ABL1 (0.39) ABL1TDP1CTSKNOTUMALDH1A1
SCHEMBL211609 0.79 ABL1 (0.38) ABL1TDP1CTSKNOTUMALDH1A1
SCHEMBL14719805 0.76 CTSK (0.31) CTSK
SCHEMBL209967 0.74 CTSK (0.37) ABL1TDP1CTSKNOTUMALDH1A1
SCHEMBL15827330 0.72 NOTUM (0.35) ABL1TDP1CTSKNOTUMALDH1A1
SCHEMBL2727493 0.72 NOTUM (0.35) ABL1TDP1CTSKNOTUMALDH1A1
SCHEMBL27789233 0.72 CTSK (0.34) ABL1TDP1CTSKNOTUMALDH1A1
SCHEMBL27810787 0.71 NOTUM (0.35) ABL1TDP1CTSKNOTUMALDH1A1
SCHEMBL4353736 0.71 NOTUM (0.37) ABL1TDP1CTSKNOTUMALDH1A1

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 956/4885TDP1 1077/4885CTSK 1455/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885TDP1 1077/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885TDP1 1077/4885CTSK 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.