SCHEMBL210801

SCHEMBL210801

CN(C(=O)NCc1cccc(F)c1F)[C@H](CCCCO)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 3/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ABL1 P00519 6/20 0.32
NTRK1 P04629 1/20 0.32
MET P08581 1/20 0.32
MAOB P27338 1/20 0.31
PIN1 Q13526 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
CHRM4 P08173 1/20 0.30
P2RX7 Q99572 1/20 0.30
QPCT Q16769 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL210802 1.00 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL210800 1.00 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL211780 0.98 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL211592 0.98 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL211781 0.98 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL2727171 0.93 ABL1 (0.33) CTSKMAPK1PKMRAB9AABL1
SCHEMBL211858 0.93 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL212250 0.92 CTSK (0.37) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL215416 0.92 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL4346244 0.92 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
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-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 CTSK 1455/4885NOTUM 2164/4885MAPK1 2926/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885MAPK1 2926/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885MAPK1 2926/4885

“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.