SCHEMBL213403

SCHEMBL213403

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CNC(=O)CN)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
ABL1 P00519 8/20 0.33
CTSK P43235 1/20 0.33
CARM1 Q86X55 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
MAOB P27338 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
WNT3A P56704 1/20 0.31
MAP4K1 Q92918 1/20 0.31
PIN1 Q13526 1/20 0.31
MAP3K7 O43318 1/20 0.31
MAP3K6 O95382 1/20 0.31
MAP3K5 Q99683 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
SCHEMBL210471 0.93 P2RX4 (0.34) NOTUMABL1CTSKCARM1ALDH1A1
SCHEMBL213404 0.88 NOTUM (0.35) NOTUMABL1CTSKCARM1NTRK1
SCHEMBL4347816 0.88 CTSK (0.36) NOTUMABL1CTSKALDH1A1LMNA
SCHEMBL4348546 0.88 CTSK (0.36) NOTUMABL1CTSKALDH1A1LMNA
SCHEMBL211437 0.86 CARM1 (0.35) ABL1CARM1
SCHEMBL212477 0.86 CTSK (0.35) NOTUMABL1CTSKALDH1A1LMNA
SCHEMBL4347418 0.86 NOTUM (0.34) NOTUMABL1CTSKALDH1A1LMNA
SCHEMBL211156 0.85 CTSK (0.34) NOTUMABL1CTSKALDH1A1LMNA
SCHEMBL215415 0.85 CTSK (0.36) NOTUMABL1CTSKALDH1A1LMNA
SCHEMBL4346238 0.85 CTSK (0.36) NOTUMABL1CTSKALDH1A1LMNA

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.