SCHEMBL212397

SCHEMBL212397

CC(=O)N(NCc1cccc(F)c1)[C@@H](CN)CON(C=O)c1cc2cc(F)ccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 6/20 0.35
AURKA O14965 4/20 0.35
AURKB Q96GD4 1/20 0.33
NTRK1 P04629 1/20 0.32
SRC P12931 1/20 0.32
ROCK1 Q13464 1/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
SCN9A Q15858 1/20 0.31
ROCK2 O75116 2/20 0.31
ERBB2 P04626 2/20 0.31
ACACB O00763 1/20 0.31
CHEK1 O14757 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 0.87 P2RX4 (0.33)
SCHEMBL211167 0.85 TRPM8 (0.32) RPS6KB1AURKASRCROCK1MAOB
SCHEMBL209650 0.82 P2RX4 (0.33)
SCHEMBL211806 0.80
SCHEMBL212460 0.80
SCHEMBL213025 0.78 P2RX4 (0.32)
SCHEMBL210416 0.78 MET (0.30)
SCHEMBL211325 0.76 P2RX4 (0.31)
SCHEMBL210415 0.76 KCNA5 (0.34)
SCHEMBL209833 0.76 P2RX4 (0.31)

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 9 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-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 RPS6KB1 3399/4885AURKA 2091/4885AURKB 1453/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RPS6KB1 3399/4885AURKA 2091/4885AURKB 1453/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RPS6KB1 3399/4885AURKA 2091/4885AURKB 1453/4885

“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.