SCHEMBL213899

SCHEMBL213899

CN(C(=O)NCc1cccc(F)c1Cl)C(CNC(=O)CN)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.36
ABL1 P00519 17/20 0.34
ANO1 Q5XXA6 1/20 0.30
MAPK1 P28482 1/20 0.30
RPS6KA1 Q15418 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
SCHEMBL211438 1.00 CARM1 (0.36) CARM1ABL1ANO1MAPK1RPS6KA1
SCHEMBL213898 1.00 CARM1 (0.36) CARM1ABL1ANO1MAPK1RPS6KA1
SCHEMBL210472 0.94 NOTUM (0.34) CARM1ABL1ANO1MAPK1
SCHEMBL209686 0.93 CARM1 (0.36) CARM1ABL1
SCHEMBL9608260 0.92 CARM1 (0.37) CARM1ABL1
SCHEMBL2724406 0.92 ABL1 (0.34) CARM1ABL1MAPK1RPS6KA1
SCHEMBL211715 0.92 CARM1 (0.35) CARM1ABL1
SCHEMBL213607 0.92 CARM1 (0.35) CARM1ABL1
SCHEMBL213606 0.92 CARM1 (0.35) CARM1ABL1
SCHEMBL2723174 0.91 ABL1 (0.34) CARM1ABL1MAPK1RPS6KA1

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-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
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
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 CARM1 1403/4885ABL1 956/4885ANO1 1073/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CARM1 1403/4885ABL1 956/4885ANO1 1073/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CARM1 1403/4885ABL1 956/4885ANO1 1073/4885

“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.