SCHEMBL212607

SCHEMBL212607

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
P2RX4 Q99571 1/20 0.33
ABL1 P00519 8/20 0.33
NOTUM Q6P988 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
ANO1 Q5XXA6 1/20 0.30
DYRK1A Q13627 3/20 0.30
GSK3B P49841 2/20 0.30
WNT1 P04628 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
SCHEMBL212117 0.96 CTSK (0.35) CTSKP2RX4ABL1NOTUMTDP1
SCHEMBL213942 0.94 ABL1 (0.34) P2RX4ABL1DYRK1AGSK3BWNT1
SCHEMBL215415 0.92 CTSK (0.36) CTSKABL1NOTUMALDH1A1DYRK1A
SCHEMBL4346238 0.92 CTSK (0.36) CTSKABL1NOTUMALDH1A1DYRK1A
SCHEMBL213060 0.92 CTSK (0.35) CTSKP2RX4ABL1NOTUMTDP1
SCHEMBL210546 0.91 CTSK (0.34) CTSKP2RX4ABL1NOTUMTDP1
SCHEMBL210223 0.90 CTSK (0.34) CTSKP2RX4ABL1NOTUMTDP1
SCHEMBL212975 0.90 P2RX4 (0.33) CTSKP2RX4ABL1NOTUMTDP1
SCHEMBL4353508 0.90 CTSK (0.37) CTSKABL1NOTUMALDH1A1MAPT
SCHEMBL2837660 0.90 P2RX4 (0.33) CTSKP2RX4NOTUMALDH1A1MAPT

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 1405/4885ABL1 956/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885P2RX4 1405/4885ABL1 956/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885P2RX4 1405/4885ABL1 956/4885

“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.