SCHEMBL369062

SCHEMBL369062

CCn1cc(-n2ccc(=O)c(COc3ccc4ncc(OC5CCOC5)cc4c3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.38
GPR119 Q8TDV5 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR3 P22607 1/20 0.34
RIPK2 O43353 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
DDX3X O00571 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
SCHEMBL368385 0.85 PDE10A (0.35) IRAK4FGFR1FGFR3PDE10A
SCHEMBL368757 0.81 MET (0.37)
SCHEMBL367674 0.80
SCHEMBL368430 0.80 MET (0.38) IRAK4FGFR1FGFR3RIPK2PDE2A
SCHEMBL370955 0.80 MET (0.38) LRRK2
SCHEMBL359863 0.79 PDGFRB (0.34) FGFR1FGFR3LRRK2
SCHEMBL368322 0.79 PDGFRB (0.41) FGFR1FGFR3LRRK2
SCHEMBL371343 0.79 PDGFRB (0.45) FGFR1FGFR3LRRK2PDE10A
SCHEMBL360364 0.79 GRM2 (0.42) FGFR1FGFR3LRRK2PDE10A
SCHEMBL358988 0.79 P2RX3 (0.33)

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
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
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 IRAK4 546/4885GPR119 1055/4885FGFR1 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.