SCHEMBL10134896

SCHEMBL10134896

N#Cc1ccc2c(c1)nc(NCCN1CCOCC1)c1ccsc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.69
CYP1A2 P05177 4/20 0.54
CYP3A4 P08684 4/20 0.54
CLK4 Q9HAZ1 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP2D6 P10635 3/20 0.54
USP2 O75604 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPK1 P28482 1/20 0.54
ACHE P22303 1/20 0.46
TOP2A P11388 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
LRRK2 Q5S007 1/20 0.43
HSD17B10 Q99714 3/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
MOK Q9UQ07 1/20 0.41
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL10134909 0.91 CSNK2A1 (0.67) CSNK2A1CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL13688009 0.85 CSNK2A1 (0.72) CSNK2A1CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL10134913 0.82 CSNK2A1 (0.48) CSNK2A1CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL10168737 0.82 CSNK2A1 (0.48) CSNK2A1CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL10132393 0.82 CSNK2A1 (1.00) CSNK2A1CSNK2A2CSNK2B
SCHEMBL10134902 0.80 CSNK2A1 (0.65) CSNK2A1CSNK2A2CSNK2B
SCHEMBL10134928 0.78 CSNK2A1 (0.45) CSNK2A1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10135002 0.78 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2B
SCHEMBL10134927 0.78 CSNK2A1 (0.44) CSNK2A1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL10135018 0.77 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2B

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-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 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 (2 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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CSNK2A1 680/4885CYP1A2 4109/4885CYP3A4 3477/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CSNK2A1 680/4885CYP1A2 4109/4885CYP3A4 3477/4885

“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.