SCHEMBL9606630

SCHEMBL9606630

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.42
DYRK1A Q13627 4/20 0.42
ABL1 P00519 13/20 0.39
MAPK1 P28482 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
WNT1 P04628 1/20 0.34
TTK P33981 1/20 0.34

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
SCHEMBL9606797 0.89 CTSK (0.41) GSK3BDYRK1AABL1AAK1
SCHEMBL210240 0.87 GSK3B (0.39) GSK3BDYRK1AABL1MAPK1AAK1
SCHEMBL210239 0.87 GSK3B (0.39) GSK3BDYRK1AABL1MAPK1AAK1
SCHEMBL2726539 0.85 SYK (0.39) GSK3BDYRK1AABL1MAPK1
SCHEMBL210058 0.85 SYK (0.39) GSK3BDYRK1AABL1MAPK1
SCHEMBL211279 0.84 GSK3B (0.40) GSK3BDYRK1AABL1WNT1TTK
SCHEMBL211280 0.84 GSK3B (0.40) GSK3BDYRK1AABL1WNT1TTK
SCHEMBL2840471 0.77 ABL1 (0.40) GSK3BDYRK1AABL1AAK1WNT1
SCHEMBL2724403 0.76 GSK3B (0.36) GSK3BDYRK1AABL1
SCHEMBL212094 0.76 CTSK (0.41) GSK3BDYRK1AABL1AAK1WNT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885ABL1 956/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885ABL1 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.