SCHEMBL209767

SCHEMBL209767

CC(=O)NCCCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1ccccc1Cl)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
NOTUM Q6P988 1/20 0.33
QPCT Q16769 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
BRD4 O60885 1/20 0.32
CASR P41180 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
SCHEMBL4353508 0.90 CTSK (0.37) CTSKNOTUMADORA3ADORA2AADORA1
SCHEMBL212341 0.89 CTSK (0.37) CTSKNOTUMADORA3ADORA2AADORA1
SCHEMBL211462 0.88 CTSK (0.36) CTSKBCHEACHENOTUMADORA3
SCHEMBL211467 0.88 CTSK (0.35) CTSKBCHEACHENOTUMADORA3
SCHEMBL211469 0.88 CTSK (0.35) CTSKBCHEACHENOTUMADORA3
SCHEMBL209768 0.88 CTSK (0.38) CTSKBCHEACHENOTUMQPCT
SCHEMBL211593 0.88 CTSK (0.33) CTSKBCHEACHE
SCHEMBL212590 0.87 CTSK (0.36) CTSKNOTUMADORA3ADORA2AADORA1
SCHEMBL212116 0.87 CTSK (0.36) CTSKNOTUMADORA3ADORA2AADORA1
SCHEMBL211672 0.86 CTSK (0.36) CTSKBCHEACHENOTUMADORA3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSK 1455/4885BCHE 994/4885ACHE 98/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885BCHE 994/4885ACHE 98/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885BCHE 994/4885ACHE 98/4885

“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.