SCHEMBL214188

SCHEMBL214188

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
MAPK1 P28482 2/20 0.33
RPS6KA1 Q15418 1/20 0.33
NOTUM Q6P988 1/20 0.33
NTRK1 P04629 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
PIN1 Q13526 1/20 0.32
ABL1 P00519 1/20 0.31
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
MTOR P42345 1/20 0.31
MET P08581 1/20 0.31
MAOB P27338 1/20 0.31
CYP3A4 P08684 1/20 0.30
SCN9A Q15858 1/20 0.30
EGFR P00533 1/20 0.30
ITK Q08881 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
SCHEMBL211350 0.93 P2RX7 (0.33) CTSKMAPK1RPS6KA1NOTUMPKM
SCHEMBL210596 0.93 P2RX7 (0.33) CTSKMAPK1RPS6KA1NOTUMPKM
SCHEMBL213483 0.93 P2RX7 (0.33) CTSKMAPK1RPS6KA1NOTUMPKM
SCHEMBL211611 0.92 NOTUM (0.35) CTSKMAPK1RPS6KA1NOTUMNTRK1
SCHEMBL210070 0.92 NOTUM (0.35) CTSKMAPK1RPS6KA1NOTUMNTRK1
SCHEMBL212082 0.92 NOTUM (0.35) CTSKMAPK1RPS6KA1NOTUMNTRK1
SCHEMBL211333 0.92 NOTUM (0.35) CTSKMAPK1RPS6KA1NOTUMNTRK1
SCHEMBL210071 0.92 NOTUM (0.35) CTSKMAPK1RPS6KA1NOTUMNTRK1
SCHEMBL210072 0.92 NOTUM (0.35) CTSKMAPK1RPS6KA1NOTUMNTRK1
SCHEMBL211744 0.91 PIN1 (0.39) CTSKMAPK1RPS6KA1NOTUMNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
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
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

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 1455/4885MAPK1 2926/4885RPS6KA1 3757/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885MAPK1 2926/4885RPS6KA1 3757/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885MAPK1 2926/4885RPS6KA1 3757/4885

“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.