SCHEMBL211003

SCHEMBL211003

CC(=O)N(NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(=O)NC[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.32
SCN9A Q15858 8/20 0.32
SCN10A Q9Y5Y9 3/20 0.32
CYP3A4 P08684 3/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
PTPN1 P18031 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL3945890 0.97 CDK9 (0.31) CDK9SCN9ASCN10ACYP3A4
SCHEMBL2877969 0.97 CDK9 (0.31) CDK9SCN9ASCN10ACYP3A4
SCHEMBL212277 0.94 CDK9 (0.32) CDK9SCN9ASCN10ACYP3A4GSK3B
SCHEMBL210996 0.90 GSK3B (0.33) CDK9SCN9ASCN10ACYP3A4GSK3B
SCHEMBL211004 0.90 SCN9A (0.33) CDK9SCN9ASCN10ACYP3A4GSK3B
SCHEMBL211802 0.89 SYK (0.33)
SCHEMBL211097 0.88 MET (0.36) CDK9GSK3BDYRK1A
SCHEMBL213724 0.88 ABL1 (0.32)
SCHEMBL8511814 0.87
SCHEMBL212238 0.86 P2RX4 (0.32)

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 CDK9 1401/4885SCN9A 2543/4885SCN10A 2124/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CDK9 1401/4885SCN9A 2543/4885SCN10A 2124/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CDK9 1401/4885SCN9A 2543/4885SCN10A 2124/4885

“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.