SCHEMBL211314

SCHEMBL211314

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.35
CTSK P43235 1/20 0.33
ADAMTS4 O75173 1/20 0.32
MMP1 P03956 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS1 Q9UHI8 1/20 0.32
ADAMTS7 Q9UKP4 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TP53 P04637 1/20 0.32
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
PAX8 Q06710 1/20 0.32
MAPK1 P28482 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
GCK P35557 2/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 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
SCHEMBL211661 0.97 CTSK (0.33) GCGCTSKADAMTS4MMP1ADAM17
SCHEMBL14734363 0.92 ABL1 (0.34) GCGCTSKTP53BCHEMAPK1
SCHEMBL211313 0.89 GCG (0.35) GCGCTSKADAMTS4MMP1ADAM17
SCHEMBL14734304 0.89 LMNA (0.34) GCGCTSKBCHEMAPK1RPS6KA1
SCHEMBL4345673 0.88 CTSK (0.34) CTSKMAPK1
SCHEMBL210709 0.88 CTSK (0.35) CTSKMAPK1
SCHEMBL210729 0.88 CTSK (0.35) CTSKMAPK1MAPT
SCHEMBL213061 0.88 CTSK (0.36) GCGCTSKMAPK1KDM4EABL1
SCHEMBL2723788 0.88 CTSK (0.37) CTSKMAPK1RPS6KA1ABL1MAPT
SCHEMBL210608 0.88 CTSK (0.37) CTSKMAPK1ABL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US 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 GCG 4092/4885CTSK 1455/4885ADAMTS4 394/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GCG 4092/4885CTSK 1455/4885ADAMTS4 394/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GCG 4092/4885CTSK 1455/4885ADAMTS4 394/4885

“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.