SCHEMBL210596

SCHEMBL210596

CN(C(=O)NCc1cccc(F)c1Cl)C(COCC(O)CO)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
CTSK P43235 1/20 0.33
MAPK1 P28482 2/20 0.32
EGFR P00533 1/20 0.32
ITK Q08881 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOTUM Q6P988 1/20 0.32
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30
ABL1 P00519 1/20 0.30
MTOR P42345 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL213483 1.00 P2RX7 (0.33) P2RX7CTSKMAPK1EGFRITK
SCHEMBL211350 1.00 P2RX7 (0.33) P2RX7CTSKMAPK1EGFRITK
SCHEMBL212564 0.94 MAPK1 (0.34) P2RX7MAPK1EGFRITKRPS6KA1
SCHEMBL211304 0.93 NOTUM (0.34) P2RX7CTSKMAPK1EGFRITK
SCHEMBL211509 0.93 NOTUM (0.34) P2RX7CTSKMAPK1EGFRITK
SCHEMBL2725313 0.93 NOTUM (0.34) P2RX7CTSKMAPK1EGFRITK
SCHEMBL214188 0.93 CTSK (0.34) CTSKMAPK1EGFRITKRPS6KA1
SCHEMBL211510 0.93 NOTUM (0.34) P2RX7CTSKMAPK1EGFRITK
SCHEMBL211303 0.93 NOTUM (0.34) P2RX7CTSKMAPK1EGFRITK
SCHEMBL211302 0.93 NOTUM (0.34) P2RX7CTSKMAPK1EGFRITK

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 8 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
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 P2RX7 1556/4885CTSK 1455/4885MAPK1 2926/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX7 1556/4885CTSK 1455/4885MAPK1 2926/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX7 1556/4885CTSK 1455/4885MAPK1 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.