SCHEMBL212520

SCHEMBL212520

CC(=O)OC(C)OC(=O)NC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ABL1 P00519 3/20 0.32
P2RX4 Q99571 1/20 0.32
NOTUM Q6P988 1/20 0.31
MAP3K7 O43318 1/20 0.30
MAP3K6 O95382 1/20 0.30
MAP3K5 Q99683 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
SCHEMBL212521 0.90 P2RX4 (0.32) CTSKTDP1ABL1P2RX4NOTUM
SCHEMBL8510311 0.90 P2RX4 (0.34) CTSKTDP1ABL1P2RX4NOTUM
SCHEMBL2725154 0.90 CTSK (0.33) CTSKTDP1ABL1NOTUMMAP3K7
SCHEMBL210471 0.88 P2RX4 (0.34) CTSKTDP1ABL1P2RX4NOTUM
SCHEMBL211887 0.87 CTSK (0.32) CTSKTDP1ABL1P2RX4NOTUM
SCHEMBL212117 0.86 CTSK (0.35) CTSKTDP1ABL1P2RX4NOTUM
SCHEMBL2867935 0.86 P2RX4 (0.35) CTSKTDP1ABL1P2RX4NOTUM
SCHEMBL2840212 0.85 P2RX4 (0.33) CTSKTDP1ABL1P2RX4NOTUM
SCHEMBL211589 0.85 P2RX4 (0.33) CTSKTDP1ABL1P2RX4NOTUM
SCHEMBL212517 0.85 CTSK (0.33) CTSKTDP1ABL1P2RX4NOTUM

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

“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.