SCHEMBL209708

SCHEMBL209708

CC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(C)C(=O)NCc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
CTSK P43235 1/20 0.39
MTOR P42345 1/20 0.38
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.36
MAP4K1 Q92918 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ABL1 P00519 1/20 0.34
QPCT Q16769 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL2721521 0.90 ALDH1A1 (0.42) NOTUMCTSKALDH1A1EPHX2NPC1
SCHEMBL210576 0.83 NPC1 (0.40) NOTUMCTSKALDH1A1NPC1RAB9A
SCHEMBL27810797 0.82 NPC1 (0.39) NOTUMCTSKALDH1A1NPC1RAB9A
SCHEMBL2721553 0.82 NPC1 (0.41) NOTUMCTSKALDH1A1NPC1RAB9A
SCHEMBL2723081 0.82 NPC1 (0.39) NOTUMCTSKALDH1A1NPC1RAB9A
SCHEMBL210645 0.82 NPC1 (0.39) NOTUMCTSKALDH1A1NPC1RAB9A
SCHEMBL210688 0.81 NPC1 (0.40) NOTUMCTSKALDH1A1NPC1RAB9A
SCHEMBL210901 0.81 NPC1 (0.40) NOTUMCTSKALDH1A1NPC1RAB9A
SCHEMBL2723145 0.81 NPC1 (0.38) NOTUMCTSKALDH1A1KMT2ANPC1
SCHEMBL211344 0.81 NOTUM (0.34) NOTUMCTSKALDH1A1PKMMAP4K1

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 NOTUM 2164/4885CTSK 1455/4885MTOR 3133/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885CTSK 1455/4885MTOR 3133/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885CTSK 1455/4885MTOR 3133/4885

“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.