SCHEMBL215000

SCHEMBL215000

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 8/20 0.41
CSNK2A1 P68400 8/20 0.41
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 2/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL213581 0.94 CSNK2A2 (0.42) CSNK2A2CSNK2A1HDAC1HDAC2SMN1; SMN2
SCHEMBL211757 0.94 CSNK2A2 (0.41) CSNK2A2CSNK2A1SMN1; SMN2KDM4ERAB9A
SCHEMBL212239 0.94 CSNK2A2 (0.38) CSNK2A2CSNK2A1HDAC1HDAC2RXFP1
SCHEMBL210560 0.94 CSNK2A2 (0.41) CSNK2A2CSNK2A1HDAC1HDAC2RXFP1
SCHEMBL212406 0.93 CSNK2A2 (0.41) CSNK2A2CSNK2A1HDAC1HDAC2RXFP1
SCHEMBL213026 0.92 RAB9A (0.45) CSNK2A2CSNK2A1HDAC1HDAC2RXFP1
SCHEMBL212086 0.91 CSNK2A2 (0.39) CSNK2A2CSNK2A1SMN1; SMN2KDM4ERAB9A
SCHEMBL212507 0.90 KDM4E (0.42) CSNK2A2CSNK2A1RXFP1SMN1; SMN2KDM4E
SCHEMBL214051 0.89 KDM4E (0.43) CSNK2A2CSNK2A1HDAC1HDAC2RXFP1
SCHEMBL211534 0.88 CSNK2A2 (0.40) CSNK2A2CSNK2A1SMN1; SMN2KDM4ERAB9A

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 CSNK2A2 534/4885CSNK2A1 714/4885HDAC1 1823/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK2A2 534/4885CSNK2A1 714/4885HDAC1 1823/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK2A2 534/4885CSNK2A1 714/4885HDAC1 1823/4885

“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.