SCHEMBL213925

SCHEMBL213925

CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CNC(=O)c1cccc(C(=O)c2ccccc2)c1)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.35
MAPK1 P28482 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
VNN1 O95497 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 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
SCHEMBL211095 0.97 ABL1 (0.37) ABL1MAPK1RPS6KA1VNN1
SCHEMBL213926 0.90 ABL1 (0.35) ABL1MAPK1RPS6KA1ALDH1A1RAB9A
SCHEMBL211660 0.88 GCG (0.32) MAPK1RPS6KA1
SCHEMBL211437 0.87 CARM1 (0.35) ABL1
SCHEMBL209633 0.86 ABL1 (0.34) ABL1
SCHEMBL211096 0.86 ABL1 (0.37) ABL1MAPK1RPS6KA1KDM4E
SCHEMBL2839842 0.85 ABL1 (0.33) ABL1
SCHEMBL212529 0.85 ABL1 (0.33) ABL1
SCHEMBL4341222 0.85 ABL1 (0.34) ABL1MAPK1RPS6KA1
SCHEMBL2861995 0.85 ABL1 (0.34) ABL1MAPK1RPS6KA1KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ABL1 956/4885MAPK1 2926/4885RPS6KA1 3757/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885MAPK1 2926/4885RPS6KA1 3757/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885MAPK1 2926/4885RPS6KA1 3757/4885

“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.