SCHEMBL213284

SCHEMBL213284

CC(CC([NH])=O)N(Cc1ccccc1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.34
DYRK1A Q13627 3/20 0.32
GSK3B P49841 2/20 0.32
AAK1 Q2M2I8 2/20 0.31
MAPK1 P28482 1/20 0.31
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
ROCK2 O75116 1/20 0.30
NR2C2 P49116 1/20 0.30
MAP2K1 Q02750 1/20 0.30
HIPK4 Q8NE63 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
BMP2K Q9NSY1 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
SCHEMBL210903 0.94 ABL1 (0.34) ABL1DYRK1AGSK3BAAK1MAPK1
SCHEMBL211683 0.86 ABL1 (0.33) ABL1DYRK1AGSK3BMAPK1JAK2
SCHEMBL213283 0.81 NPC1 (0.35) ABL1MAPK1JAK2TYK2
SCHEMBL211931 0.81 ANO1 (0.36) ABL1MAPK1
SCHEMBL213219 0.81 ABL1 (0.33) ABL1DYRK1AGSK3BMAPK1
SCHEMBL211682 0.80 ANO1 (0.35) ABL1DYRK1AGSK3BMAPK1
SCHEMBL2725125 0.78 ABL1 (0.37) ABL1
SCHEMBL8511079 0.76 MAPK1 (0.37) ABL1DYRK1AGSK3BMAPK1
SCHEMBL210902 0.75 P2RX7 (0.36) ABL1
SCHEMBL212353 0.75 P2RX7 (0.36) ABL1ROCK2

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-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-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 (1 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 ABL1 956/4885DYRK1A 4356/4885GSK3B 776/4885

“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.