SCHEMBL213282

SCHEMBL213282

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCCN1CCCC(F)C1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.36
AVPR1B P47901 1/20 0.35
KMT2A Q03164 2/20 0.34
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
WNT1 P04628 2/20 0.34
LMNA P02545 1/20 0.32
CCNK O75909 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
CTSK P43235 1/20 0.32
AHCY P23526 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
CCR3 P51677 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL212386 0.90 GSK3B (0.35) GSK3BDYRK1AWNT1CTSKHTR2A
SCHEMBL210692 0.90 GSK3B (0.35) GSK3BDYRK1AWNT1CTSKHTR2A
SCHEMBL2725650 0.89 METAP1 (0.34) MAPK1GSK3BDYRK1AWNT1CTSK
SCHEMBL212205 0.89 MAPT (0.39) GSK3BDYRK1AWNT1SMN1; SMN2
SCHEMBL2726352 0.88 AHCY (0.33) MAPK1GSK3BDYRK1AWNT1CTSK
SCHEMBL2725077 0.88 TMEM97 (0.33) MAPK1GSK3BDYRK1ACTSKAHCY
SCHEMBL209817 0.88 DRD3 (0.34) CTSKAHCYHTR2A
SCHEMBL210972 0.87 DRD3 (0.33) GSK3BDYRK1AWNT1CTSKAHCY
SCHEMBL213061 0.85 CTSK (0.36) MAPK1CTSK
SCHEMBL2723788 0.85 CTSK (0.37) MAPK1CTSK

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 2926/4885AVPR1B 4264/4885KMT2A 2418/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885AVPR1B 4264/4885KMT2A 2418/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885AVPR1B 4264/4885KMT2A 2418/4885

“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.