SCHEMBL12995164

SCHEMBL12995164

CC(C)OC(=O)Nc1ccc(-c2c(-c3ccn(C)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.37
DYRK1A Q13627 3/20 0.36
GSK3B P49841 2/20 0.36
NPY1R P25929 1/20 0.35
HRH3 Q9Y5N1 6/20 0.34
S1PR3 Q99500 2/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK14 Q16539 1/20 0.33
IDH1 O75874 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR3A P46098 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL12995300 0.96 GCK (0.36) GCKDYRK1AGSK3BNPY1RHRH3
SCHEMBL12995109 0.89 HRH3 (0.35) DYRK1ANPY1RHRH3S1PR3MAPK14
SCHEMBL12995161 0.89 S1PR3 (0.35) GCKDYRK1AGSK3BNPY1RHRH3
SCHEMBL12995163 0.89 NPY1R (0.36) DYRK1AGSK3BNPY1RHRH3S1PR3
SCHEMBL12995191 0.88 NPY1R (0.34) DYRK1ANPY1RHRH3S1PR3NPC1
SCHEMBL12995449 0.88 AURKA (0.39) GCKDYRK1AGSK3BHRH3NPC1
SCHEMBL10096087 0.88 MEN1 (0.35) MAPK14NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL12995202 0.87 NPY1R (0.36) DYRK1AGSK3BNPY1RHRH3S1PR3
SCHEMBL12995203 0.87 NPY1R (0.35) DYRK1AGSK3BNPY1RHRH3S1PR3
SCHEMBL12995208 0.87 RIPK3 (0.39) DYRK1ANPY1RHRH3S1PR3NPC1

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GCK 1037/4885DYRK1A 4875/4885GSK3B 846/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GCK 1037/4885DYRK1A 4875/4885GSK3B 846/4885

“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.