SCHEMBL14915754

SCHEMBL14915754

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
MET P08581 12/20 0.36
HDAC1 Q13547 4/20 0.36
GRM4 Q14833 2/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
FLT3 P36888 1/20 0.33
DYRK1A Q13627 2/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
SYK P43405 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 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
SCHEMBL162668 0.88 MET (0.43) PDE10AMETDYRK1A
SCHEMBL173934 0.88 PDE10A (0.38) PDE10AMETHDAC1GRM4FLT3
SCHEMBL360549 0.87 MET (0.36) PDE10AMETHDAC1GRM4FLT3
SCHEMBL359783 0.86 MET (0.35) PDE10AMETHDAC1GRM4
SCHEMBL359286 0.86 MET (0.39) PDE10AMETHDAC1GRM4FGFR1
SCHEMBL359318 0.86 MET (0.38) PDE10AMETHDAC1GRM4
SCHEMBL369336 0.85 MET (0.39) PDE10AMETHDAC1GRM4FLT3
SCHEMBL360624 0.84 IRAK4 (0.37) PDE10AFGFR1FGFR2FGFR3DYRK1A
SCHEMBL360598 0.84 PDE10A (0.38) PDE10AMETFGFR1FGFR3
SCHEMBL178094 0.84 MET (0.44) METFGFR1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 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 (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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET PDE10A 3303/4885MET 3/4885HDAC1 1278/4885

“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.