SCHEMBL212461

SCHEMBL212461

COC(=O)c1ccc2cnc(NC(=O)OCCN(NCc3cccc(F)c3Cl)C(C)=O)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
RPS6KA1 Q15418 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BDKRB1 P46663 3/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ABL1 P00519 3/20 0.31
ANO1 Q5XXA6 1/20 0.31
P2RX4 Q99571 1/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
DYRK1A Q13627 5/20 0.31
GSK3B P49841 4/20 0.31
WNT1 P04628 1/20 0.31
NPC1 O15118 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 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
SCHEMBL210445 0.97 ABL1 (0.35) KDM4EALDH1A1HPGDL3MBTL1BDKRB1
SCHEMBL4353736 0.90 NOTUM (0.37) MAPK1KDM4EALDH1A1LMNAMAPT
SCHEMBL210121 0.89 ABL1 (0.34) MAPK1RPS6KA1ALDH1A1MAPTABL1
SCHEMBL209682 0.87 MAPT (0.34) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL212462 0.86 MAPK1 (0.35) MAPK1RPS6KA1ALDH1A1LMNAMAPT
SCHEMBL210417 0.86 ABL1 (0.38) ABL1ANO1P2RX4NPC1RAB9A
SCHEMBL210446 0.83 ABL1 (0.35) MAPK1RPS6KA1ALDH1A1LMNAMAPT
SCHEMBL210117 0.82 JAK3 (0.37) MAPK1ANO1P2RX4
SCHEMBL8509850 0.82 P2RX4 (0.30) P2RX4
SCHEMBL8512982 0.79 CYSLTR1 (0.32) P2RX4

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 MAPK1 2926/4885RPS6KA1 3757/4885KDM4E 3281/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885RPS6KA1 3757/4885KDM4E 3281/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885RPS6KA1 3757/4885KDM4E 3281/4885

“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.