SCHEMBL209682

SCHEMBL209682

COC(=O)c1cccc2cnc(NC(=O)OCCN(NCc3cccc(F)c3Cl)C(C)=O)cc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MAPK1 P28482 3/20 0.33
ADORA2A P29274 1/20 0.33
MAPK8 P45983 5/20 0.33
MAPK9 P45984 5/20 0.33
MAPK10 P53779 5/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
P2RX4 Q99571 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
JAK3 P52333 1/20 0.31
MAP4K1 Q92918 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 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
SCHEMBL210117 0.92 JAK3 (0.37) MAPK1ANO1P2RX4JAK3
SCHEMBL4353736 0.89 NOTUM (0.37) MAPTMAPK1ANO1P2RX4ALDH1A1
SCHEMBL210445 0.87 ABL1 (0.35) MAPTALDH1A1KDM4EHPGD
SCHEMBL212461 0.87 MAPK1 (0.34) MAPTMAPK1ANO1P2RX4MAP4K1
SCHEMBL209683 0.86 ADORA2A (0.36) MAPTMAPK1ADORA2AMAPK8MAPK9
SCHEMBL210121 0.83 ABL1 (0.34) MAPTMAPK1SMN1; SMN2ANO1P2RX4
SCHEMBL210417 0.83 ABL1 (0.38) SMN1; SMN2ANO1P2RX4
SCHEMBL14718185 0.81 ADORA2A (0.32) MAPTADORA2AMAPK8MAPK9MAPK10
SCHEMBL209904 0.80 MAPK1 (0.33) MAPTMAPK1MAPK8ANO1JAK3
SCHEMBL210118 0.78 JAK3 (0.37) MAPK1JAK3

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 9 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-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
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 MAPT 530/4885MAPK1 2926/4885ADORA2A 2191/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885MAPK1 2926/4885ADORA2A 2191/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885MAPK1 2926/4885ADORA2A 2191/4885

“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.