SCHEMBL360319

SCHEMBL360319

Cn1cc(-n2ccc(=O)c(COc3ccc4ncc(OCC5(C)COC5)cc4c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
FGFR1 P11362 3/20 0.36
FGFR2 P21802 3/20 0.36
FGFR3 P22607 3/20 0.36
FGFR4 P22455 2/20 0.36
KDR P35968 2/20 0.36
PDE10A Q9Y233 2/20 0.34
PARG Q86W56 1/20 0.34
PDE2A O00408 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
FLT3 P36888 1/20 0.32
MET P08581 4/20 0.32
CACNA1H O95180 5/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL2268002 0.89 MET (0.37) IRAK1IRAK4FGFR1FGFR2FGFR3
SCHEMBL173298 0.86 BRD4 (0.38) FGFR1FGFR2FGFR3PDE10AMET
SCHEMBL359817 0.85 MET (0.40) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL368129 0.84 MIF (0.40) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL360598 0.83 PDE10A (0.38) FGFR1FGFR3PDE10AMET
SCHEMBL255618 0.83 PDE10A (0.38) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL178094 0.83 MET (0.44) FGFR1FGFR3MET
SCHEMBL368385 0.83 PDE10A (0.35) IRAK4FGFR1FGFR2FGFR3FGFR4
SCHEMBL14926930 0.83 PDE10A (0.35) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL367624 0.83 PDE10A (0.35) FGFR1FGFR2FGFR3FGFR4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP 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
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET IRAK1 500/4885IRAK4 546/4885FGFR1 58/4885

“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.