SCHEMBL213378

SCHEMBL213378

COP(=O)(OC)OCCCCC(COC(=O)Nc1cc2ccccc2cn1)N(C)C(=O)NCc1cccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
PIN1 Q13526 2/20 0.33
NOTUM Q6P988 1/20 0.32
MET P08581 1/20 0.32
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NTRK1 P04629 1/20 0.30
MAOB P27338 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
SCHEMBL213377 1.00 CTSK (0.34) CTSKPIN1NOTUMMETPKM
SCHEMBL213086 1.00 CTSK (0.34) CTSKPIN1NOTUMMETPKM
SCHEMBL212720 0.98 CTSK (0.35) CTSKPIN1NOTUMMETPKM
SCHEMBL212719 0.98 CTSK (0.35) CTSKPIN1NOTUMMETPKM
SCHEMBL212721 0.98 CTSK (0.35) CTSKPIN1NOTUMMETPKM
SCHEMBL212502 0.94 ABL1 (0.32) METMAPK1
SCHEMBL4351523 0.94 CTSK (0.35) CTSKPIN1NOTUMMETNTRK1
SCHEMBL4351527 0.94 CTSK (0.35) CTSKPIN1NOTUMMETNTRK1
SCHEMBL4351517 0.94 CTSK (0.35) CTSKPIN1NOTUMMETNTRK1
SCHEMBL210757 0.93 CTSK (0.34) CTSKNOTUMPKMMAPK1RAB9A

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

“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.