SCHEMBL210207

SCHEMBL210207

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](CNC(=O)OCc1ccccc1)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.37
MAP4K1 Q92918 1/20 0.36
MAPKAPK2 P49137 1/20 0.33
MGLL Q99685 1/20 0.33
ABL1 P00519 4/20 0.33
LIPG Q9Y5X9 1/20 0.33
PTGER1 P34995 2/20 0.32
MAP3K5 Q99683 1/20 0.32
CSNK1D P48730 1/20 0.32
TSHR P16473 1/20 0.32
FSHR P23945 1/20 0.32
CASP3 P42574 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 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
SCHEMBL210208 1.00 KCNA5 (0.37) KCNA5MAP4K1MAPKAPK2MGLLABL1
SCHEMBL210206 1.00 KCNA5 (0.37) KCNA5MAP4K1MAPKAPK2MGLLABL1
SCHEMBL210182 0.94 MAP4K1 (0.38) KCNA5MAP4K1MAPKAPK2LIPGPTGER1
SCHEMBL210181 0.94 MAP4K1 (0.38) KCNA5MAP4K1MAPKAPK2LIPGPTGER1
SCHEMBL213751 0.89 MAP4K1 (0.34) KCNA5MAP4K1MAPKAPK2MGLLLIPG
SCHEMBL2724403 0.89 GSK3B (0.36) ABL1
SCHEMBL211438 0.88 CARM1 (0.36) ABL1MAPK1
SCHEMBL213899 0.88 CARM1 (0.36) ABL1MAPK1
SCHEMBL213898 0.88 CARM1 (0.36) ABL1MAPK1
SCHEMBL209634 0.88 ABL1 (0.34) ABL1ALDH1A1MAPK1

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 8 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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO 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 KCNA5 1913/4885MAP4K1 1290/4885MAPKAPK2 3021/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KCNA5 1913/4885MAP4K1 1290/4885MAPKAPK2 3021/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KCNA5 1913/4885MAP4K1 1290/4885MAPKAPK2 3021/4885

“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.