SCHEMBL211893

SCHEMBL211893

CN(C(=O)NCc1ccc(F)cc1Cl)[C@@H](CCCC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.38
CTSK P43235 1/20 0.36
BRD4 O60885 1/20 0.35
HTT P42858 1/20 0.35
HSD11B1 P28845 1/20 0.34
NOTUM Q6P988 1/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 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
SCHEMBL210556 0.93 CTSK (0.36) P2RX7CTSKBRD4HTTNOTUM
SCHEMBL210557 0.93 CTSK (0.36) P2RX7CTSKBRD4HTTNOTUM
SCHEMBL14734332 0.93 CTSK (0.37) P2RX7CTSKBRD4HTTNOTUM
SCHEMBL210997 0.92 CTSK (0.36) P2RX7CTSKBRD4HTTNOTUM
SCHEMBL210628 0.92 CTSK (0.37) P2RX7CTSKBRD4HTTNOTUM
SCHEMBL210627 0.92 CTSK (0.37) P2RX7CTSKBRD4HTTNOTUM
SCHEMBL212236 0.92 CTSK (0.37) P2RX7CTSKBRD4HTTNOTUM
SCHEMBL210626 0.92 CTSK (0.37) P2RX7CTSKBRD4HTTNOTUM
SCHEMBL212342 0.92 CTSK (0.39) CTSKHTTNOTUM
SCHEMBL213671 0.90 CTSK (0.36) P2RX7CTSKNOTUM

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 8 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-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 P2RX7 1556/4885CTSK 1455/4885BRD4 871/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX7 1556/4885CTSK 1455/4885BRD4 871/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX7 1556/4885CTSK 1455/4885BRD4 871/4885

“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.