SCHEMBL213614

SCHEMBL213614

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCCN)COC(=O)Nc1cc2ccncc2cn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.34
ROCK1 Q13464 2/20 0.33
ROCK2 O75116 2/20 0.33
P2RX7 Q99572 1/20 0.32
PIM1 P11309 2/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
CTSK P43235 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
DGAT2 Q96PD7 2/20 0.31
MAPK1 P28482 2/20 0.30
JAK3 P52333 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
SCHEMBL213616 1.00 MAP4K1 (0.34) MAP4K1ROCK1ROCK2P2RX7PIM1
SCHEMBL213615 1.00 MAP4K1 (0.34) MAP4K1ROCK1ROCK2P2RX7PIM1
SCHEMBL2723892 0.97 MAP4K1 (0.34) MAP4K1ROCK1ROCK2P2RX7PIM1
SCHEMBL2723614 0.94 MAP4K1 (0.32) MAP4K1ROCK1ROCK2P2RX7PIM1
SCHEMBL212091 0.93 MAP4K1 (0.33) MAP4K1P2RX7CTSKANO1TRPV1
SCHEMBL210608 0.93 CTSK (0.37) MAP4K1P2RX7CTSKANO1MAPK1
SCHEMBL2726553 0.92 MAP4K1 (0.31) MAP4K1ROCK2P2RX7CTSKDGAT2
SCHEMBL9608082 0.91 MAP4K1 (0.31) MAP4K1DGAT2
SCHEMBL212268 0.90 MAP4K1 (0.33) MAP4K1P2RX7CTSKANO1TRPV1
SCHEMBL211055 0.90 MAP4K1 (0.31) MAP4K1ROCK2

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 17 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-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-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-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-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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO 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 MAP4K1 1290/4885ROCK1 82/4885ROCK2 77/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAP4K1 1290/4885ROCK1 82/4885ROCK2 77/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAP4K1 1290/4885ROCK1 82/4885ROCK2 77/4885

“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.