SCHEMBL212345

SCHEMBL212345

CC(=O)N(NCc1cccc(F)c1Cl)[C@H](CON(C=O)c1cc2cc(F)ccc2cn1)CC(=O)N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.35
P2RX4 Q99571 1/20 0.32
MET P08581 2/20 0.32
FKBP1A P62942 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
P2RX7 Q99572 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL212808 0.86 P2RX4 (0.33) P2RX4
SCHEMBL209650 0.85 P2RX4 (0.33) P2RX4
SCHEMBL212080 0.84 SCN9A (0.33) P2RX4SCN9A
SCHEMBL213025 0.83 P2RX4 (0.32) P2RX4
SCHEMBL211325 0.83 P2RX4 (0.31) P2RX4
SCHEMBL209833 0.82 P2RX4 (0.31) P2RX4
SCHEMBL211417 0.82 P2RX4 (0.31) P2RX4
SCHEMBL212303 0.81 P2RX4 (0.31) P2RX4
SCHEMBL209871 0.81 ANO1 (0.32) P2RX4
SCHEMBL213287 0.81 P2RX4 (0.30) P2RX4

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-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-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-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 GRIN2B 3972/4885P2RX4 1405/4885MET 1850/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GRIN2B 3972/4885P2RX4 1405/4885MET 1850/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GRIN2B 3972/4885P2RX4 1405/4885MET 1850/4885

“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.