SCHEMBL2840966

SCHEMBL2840966

CN(Cc1cccc(F)c1F)[C@@H](CCCOP(=O)(OCCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(C)Cc1cccc(F)c1F)OCCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(C)Cc1cccc(F)c1F)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.36
NOTUM Q6P988 1/20 0.35
CTSK P43235 1/20 0.34
DYRK1A Q13627 3/20 0.32
GSK3B P49841 2/20 0.32
WNT1 P04628 1/20 0.32
ABL1 P00519 5/20 0.32
MTOR P42345 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
MAP4K1 Q92918 1/20 0.30
NTRK1 P04629 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
SCHEMBL2729920 0.95 PIN1 (0.40) PIN1NOTUMCTSKDYRK1AGSK3B
SCHEMBL2840973 0.95 PIN1 (0.40) PIN1NOTUMCTSKDYRK1AGSK3B
SCHEMBL2839634 0.90 CTSK (0.37) PIN1NOTUMCTSKABL1MTOR
SCHEMBL2839632 0.90 CTSK (0.37) PIN1NOTUMCTSKABL1MTOR
SCHEMBL2728833 0.90 CTSK (0.37) PIN1NOTUMCTSKABL1MTOR
SCHEMBL9606738 0.89 CTSK (0.34) PIN1NOTUMCTSKABL1MTOR
SCHEMBL2843062 0.88 PIN1 (0.36) PIN1NOTUMCTSKDYRK1AGSK3B
SCHEMBL2842115 0.88 PIN1 (0.36) PIN1NOTUMCTSKDYRK1AGSK3B
SCHEMBL4338635 0.86 CTSK (0.36) PIN1NOTUMCTSKNTRK1
SCHEMBL4338632 0.86 CTSK (0.36) PIN1NOTUMCTSKNTRK1

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 7 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
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 PIN1 4267/4885NOTUM 2164/4885CTSK 1455/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PIN1 4267/4885NOTUM 2164/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PIN1 4267/4885NOTUM 2164/4885CTSK 1455/4885

“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.