SCHEMBL212117

SCHEMBL212117

[CH2]CC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
P2RX4 Q99571 1/20 0.34
NOTUM Q6P988 1/20 0.34
ABL1 P00519 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
JAK3 P52333 1/20 0.31
LMNA P02545 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 2/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
WNT3A P56704 1/20 0.30

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
SCHEMBL212607 0.96 CTSK (0.35) CTSKP2RX4NOTUMABL1TDP1
SCHEMBL4341222 0.93 ABL1 (0.34) P2RX4ABL1ANO1MAPK1
SCHEMBL212975 0.92 P2RX4 (0.33) CTSKP2RX4NOTUMABL1TDP1
SCHEMBL210223 0.92 CTSK (0.34) CTSKP2RX4NOTUMABL1TDP1
SCHEMBL4347816 0.92 CTSK (0.36) CTSKNOTUMABL1ALDH1A1LMNA
SCHEMBL4348546 0.92 CTSK (0.36) CTSKNOTUMABL1ALDH1A1LMNA
SCHEMBL2837660 0.92 P2RX4 (0.33) CTSKP2RX4NOTUMALDH1A1MAPT
SCHEMBL209966 0.92 CTSK (0.34) CTSKP2RX4NOTUMABL1TDP1
SCHEMBL213060 0.91 CTSK (0.35) CTSKP2RX4NOTUMABL1TDP1
SCHEMBL2840024 0.91 P2RX4 (0.33) CTSKP2RX4NOTUMABL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1455/4885P2RX4 1405/4885NOTUM 2164/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885P2RX4 1405/4885NOTUM 2164/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885P2RX4 1405/4885NOTUM 2164/4885

“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.