SCHEMBL212067

SCHEMBL212067

CN(CCOC(=O)Nc1cc2c(CO)cccc2cn1)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.34
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ANO1 Q5XXA6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
JAK3 P52333 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL213618 0.91 MAPK1 (0.33) MAPK1P2RX7ALDH1A1ANO1KDM4E
SCHEMBL212756 0.91 NOTUM (0.37) MAPK1P2RX7ALDH1A1ANO1KMT2A
SCHEMBL209904 0.90 MAPK1 (0.33) MAPK1P2RX7ALDH1A1ANO1JAK3
SCHEMBL209683 0.90 ADORA2A (0.36) MAPK1P2RX7ANO1ADORA2AMAPT
SCHEMBL210118 0.90 JAK3 (0.37) MAPK1P2RX7JAK3
SCHEMBL211630 0.88 ABL1 (0.38) P2RX7
SCHEMBL211545 0.88 ABL1 (0.35) MAPK1P2RX7ANO1
SCHEMBL2726078 0.88 P2RX7 (0.38) MAPK1P2RX7ALDH1A1ANO1ADORA2A
SCHEMBL210765 0.87 MAPK1 (0.34) MAPK1P2RX7ANO1
SCHEMBL2723373 0.87 P2RX7 (0.38) MAPK1P2RX7ALDH1A1ANO1ADORA2A

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 17 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-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
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 MAPK1 2926/4885P2RX7 1556/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885P2RX7 1556/4885ALDH1A1 1710/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885P2RX7 1556/4885ALDH1A1 1710/4885

“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.