SCHEMBL210694

SCHEMBL210694

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
ABL1 P00519 6/20 0.33
CTSK P43235 1/20 0.33
CSNK1D P48730 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.32
PRMT3 O60678 1/20 0.32
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL211672 0.91 CTSK (0.36) NOTUMABL1CTSKCSNK1DADORA3
SCHEMBL210077 0.90 NOTUM (0.36) NOTUMABL1CTSKCSNK1DADORA3
SCHEMBL210644 0.90 NOTUM (0.36) NOTUMABL1CTSKCSNK1DADORA3
SCHEMBL210695 0.87 NPC1 (0.37) NOTUMABL1CTSKMAPTALDH1A1
SCHEMBL212116 0.86 CTSK (0.36) NOTUMABL1CTSKCSNK1DADORA3
SCHEMBL210443 0.85 MAP4K1 (0.37) NOTUMCTSKADORA3ADORA2AADORA1
SCHEMBL212590 0.85 CTSK (0.36) NOTUMABL1CTSKCSNK1DADORA3
SCHEMBL211135 0.84 ALDH1A1 (0.38) NOTUMABL1CTSKCSNK1DADORA3
SCHEMBL211462 0.84 CTSK (0.36) NOTUMABL1CTSKCSNK1DADORA3
SCHEMBL4353508 0.84 CTSK (0.37) NOTUMABL1CTSKCSNK1DADORA3

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 NOTUM 2164/4885ABL1 956/4885CTSK 1455/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885ABL1 956/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885ABL1 956/4885CTSK 1455/4885

“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.