SCHEMBL211609

SCHEMBL211609

CC(OC(=O)Nc1cc2ccccc2cn1)C(C)N(C=O)NCc1cccc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.38
CTSK P43235 1/20 0.38
NOTUM Q6P988 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP3K7 O43318 1/20 0.34
MAP3K6 O95382 1/20 0.34
MAP3K5 Q99683 1/20 0.34
MTOR P42345 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GCK P35557 1/20 0.32
DYRK1A Q13627 1/20 0.32
JAK3 P52333 1/20 0.32
LMNA P02545 1/20 0.32
MAP4K1 Q92918 1/20 0.31

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
SCHEMBL210875 0.84 ABL1 (0.39) ABL1CTSKNOTUMTDP1MAP3K7
SCHEMBL2728665 0.81 CTSK (0.40) ABL1CTSKNOTUMTDP1MAP3K7
SCHEMBL211610 0.79 ABL1 (0.39) ABL1CTSKNOTUMTDP1MAP3K7
SCHEMBL4353736 0.77 NOTUM (0.37) ABL1CTSKNOTUMTDP1MTOR
SCHEMBL209967 0.77 CTSK (0.37) ABL1CTSKNOTUMTDP1MAP3K7
SCHEMBL212117 0.74 CTSK (0.35) ABL1CTSKNOTUMTDP1MTOR
SCHEMBL2867935 0.74 P2RX4 (0.35) ABL1CTSKNOTUMTDP1MTOR
SCHEMBL2840212 0.73 P2RX4 (0.33) ABL1CTSKNOTUMTDP1ANO1
SCHEMBL15827330 0.73 NOTUM (0.35) ABL1CTSKNOTUMTDP1MAP3K7
SCHEMBL2727493 0.73 NOTUM (0.35) ABL1CTSKNOTUMTDP1MAP3K7

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