SCHEMBL2723263

SCHEMBL2723263

CC(C)[C@@H](N)C(=O)OCCC[C@@H](COC(=O)Nc1cc2cc(F)ccc2cn1)N(C)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.33
ABL1 P00519 3/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
CTSK P43235 1/20 0.31
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
SCHEMBL2723368 1.00 EGFR (0.33) EGFRABL1CARM1PRMT6CTSK
SCHEMBL2726147 0.98 EGFR (0.32) EGFRABL1CARM1PRMT6CTSK
SCHEMBL2726121 0.98 EGFR (0.32) EGFRABL1CARM1PRMT6CTSK
SCHEMBL9608011 0.98 EGFR (0.32) EGFRABL1CARM1PRMT6CTSK
SCHEMBL9608301 0.98 EGFR (0.32) EGFRABL1CARM1PRMT6CTSK
SCHEMBL2723388 0.93 MAPK1 (0.31) ABL1MAPK1RPS6KA1
SCHEMBL2724488 0.93 MAPK1 (0.31) ABL1MAPK1RPS6KA1
SCHEMBL211710 0.91 ABL1 (0.33) ABL1CARM1PRMT6CTSKMAPK1
SCHEMBL211446 0.91 ABL1 (0.33) ABL1CARM1PRMT6CTSKMAPK1
SCHEMBL211709 0.91 ABL1 (0.33) ABL1CARM1PRMT6CTSKMAPK1

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
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
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 EGFR 4767/4885ABL1 956/4885CARM1 1403/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EGFR 4767/4885ABL1 956/4885CARM1 1403/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EGFR 4767/4885ABL1 956/4885CARM1 1403/4885

“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.