SCHEMBL212462

SCHEMBL212462

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.35
RPS6KA1 Q15418 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NQO2 P16083 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
DYRK1A Q13627 6/20 0.32
GSK3B P49841 5/20 0.32
P2RX7 Q99572 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
WNT1 P04628 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
ABL1 P00519 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
GRM5 P41594 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL210446 0.97 ABL1 (0.35) MAPK1RPS6KA1LMNAMAPTNQO2
SCHEMBL212756 0.90 NOTUM (0.37) MAPK1MAPTDYRK1AGSK3BP2RX7
SCHEMBL2723514 0.89 ABL1 (0.34) MAPK1RPS6KA1MAPTDYRK1AGSK3B
SCHEMBL211545 0.88 ABL1 (0.35) MAPK1RPS6KA1DYRK1AGSK3BP2RX7
SCHEMBL209593 0.88 ABL1 (0.34) DYRK1AGSK3BABL1ALDH1A1
SCHEMBL209683 0.87 ADORA2A (0.36) MAPK1MAPTDGAT2P2RX7PKM
SCHEMBL2723244 0.87 MAP4K1 (0.35) MAPK1P2RX7ROCK2ROCK1ABL1
SCHEMBL212461 0.86 MAPK1 (0.34) MAPK1RPS6KA1LMNAMAPTDYRK1A
SCHEMBL2723559 0.86 ABL1 (0.38) MAPK1P2RX7ABL1PKMRAB9A
SCHEMBL210331 0.85 ROCK2 (0.36) DYRK1AGSK3BROCK2ROCK1WNT1

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 2926/4885RPS6KA1 3757/4885LMNA 216/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885RPS6KA1 3757/4885LMNA 216/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885RPS6KA1 3757/4885LMNA 216/4885

“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.