SCHEMBL173934

SCHEMBL173934

Cn1cc(-n2ccc(=S)c(COc3ccc4nccnc4c3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
GRM4 Q14833 5/20 0.36
MET P08581 11/20 0.33
HDAC1 Q13547 4/20 0.33
FLT3 P36888 1/20 0.33
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL163972 0.88 PDE10A (0.42) PDE10AMETDYRK1A
SCHEMBL14915754 0.88 PDE10A (0.38) PDE10AGRM4METHDAC1FLT3
SCHEMBL164663 0.84 MET (0.42) MET
SCHEMBL162897 0.83 PDE10A (0.37) PDE10AGRM4MET
SCHEMBL162668 0.76 MET (0.43) PDE10AMETDYRK1A
SCHEMBL360549 0.75 MET (0.36) PDE10AGRM4METHDAC1FLT3
SCHEMBL359318 0.75 MET (0.38) PDE10AGRM4METHDAC1CCNC
SCHEMBL359783 0.75 MET (0.35) PDE10AGRM4METHDAC1CCNC
SCHEMBL359286 0.75 MET (0.39) PDE10AGRM4METHDAC1FLT3
SCHEMBL369336 0.73 MET (0.39) PDE10AGRM4METHDAC1FLT3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP claimed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US claimed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO claimed
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 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 (1 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-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 PDE10A 3997/4885GRM4 1638/4885MET 1/4885

“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.