SCHEMBL211547

SCHEMBL211547

CC(=O)N(CCOC(=O)Nc1nc2cc(C)c(C)cc2s1)NCc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT1 P42224 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TSHR P16473 1/20 0.42
LCK P06239 3/20 0.42
ACP1 P24666 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL210507 0.93 CSNK1D (0.47) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL211950 0.91 CSNK1D (0.45) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4342546 0.89 RAB9A (0.58) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL211695 0.87 NPC1 (0.55) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8510224 0.87 DYRK1A (0.49) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL210936 0.85 ALDH1A1 (0.41) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2722965 0.84 CSNK1D (0.46) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8509643 0.83 KMT2A (0.48) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8535100 0.78 SMN1; SMN2 (0.53) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4347836 0.77 CSNK1D (0.51) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1

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 6 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-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 CSNK1D 754/4885RAB9A 2065/4885NPC1 4684/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885RAB9A 2065/4885NPC1 4684/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885RAB9A 2065/4885NPC1 4684/4885

“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.