SCHEMBL210948

SCHEMBL210948

CN(C(=O)NCc1ccccc1Cl)[C@@H](CCCNCC(F)F)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
KIF11 P52732 1/20 0.32
CTSK P43235 1/20 0.32
MAPK1 P28482 2/20 0.31
MAPT P10636 1/20 0.31
MAPK8 P45983 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
SCHEMBL210657 0.92 ABL1 (0.32) ABL1KIF11MAPK1
SCHEMBL212032 0.89 ALDH1A1 (0.34) ABL1ALDH1A1NPC1CTSKMAPK1
SCHEMBL211736 0.89 ALDH1A1 (0.34) ABL1ALDH1A1NPC1CTSKMAPK1
SCHEMBL211154 0.87 ALDH1A1 (0.33) ABL1ALDH1A1NPC1CTSKMAPK1
SCHEMBL211931 0.84 ANO1 (0.36) ABL1ALDH1A1NPC1MAPK1MAPT
SCHEMBL2758732 0.84 ALDH1A1 (0.35) ABL1ALDH1A1NPC1MAPK1MAPT
SCHEMBL211444 0.84 ABL1 (0.31) ABL1
SCHEMBL212938 0.84 ABL1 (0.33) ABL1CTSKMAPK1
SCHEMBL211210 0.84 P2RX7 (0.36) ABL1
SCHEMBL212273 0.83 KIF11 (0.31) ABL1KIF11

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-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-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
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

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 956/4885BCHE 994/4885ACHE 98/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885BCHE 994/4885ACHE 98/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885BCHE 994/4885ACHE 98/4885

“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.