SCHEMBL212975

SCHEMBL212975

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.33
NOTUM Q6P988 1/20 0.33
CTSK P43235 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
ABL1 P00519 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
JAK3 P52333 1/20 0.30
P2RX7 Q99572 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 0.92 CTSK (0.35) P2RX4NOTUMCTSKTDP1ABL1
SCHEMBL212607 0.90 CTSK (0.35) P2RX4NOTUMCTSKTDP1ABL1
SCHEMBL2840024 0.89 P2RX4 (0.33) P2RX4NOTUMCTSKTDP1ABL1
SCHEMBL2867935 0.89 P2RX4 (0.35) P2RX4NOTUMCTSKTDP1ABL1
SCHEMBL215032 0.89 PIN1 (0.33) P2RX4NOTUMCTSKANO1
SCHEMBL8510311 0.89 P2RX4 (0.34) P2RX4NOTUMCTSKTDP1ABL1
SCHEMBL210857 0.88 PIN1 (0.34) P2RX4NOTUMCTSK
SCHEMBL210859 0.88 PIN1 (0.34) P2RX4NOTUMCTSK
SCHEMBL213114 0.88 PIN1 (0.34) P2RX4NOTUMCTSK
SCHEMBL210223 0.88 CTSK (0.34) P2RX4NOTUMCTSKTDP1ABL1

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