SCHEMBL10100666

SCHEMBL10100666

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCC4CCCN4)c(F)c3F)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 3/20 0.38
LRRK2 Q5S007 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
MAPK1 P28482 3/20 0.35
MERTK Q12866 7/20 0.34
AXL P30530 6/20 0.34
FGFR1 P11362 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR3 P22607 2/20 0.34
MAP4K3 Q8IVH8 1/20 0.34
MAP4K4 O95819 1/20 0.33

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
SCHEMBL10100674 0.91 PRPS1 (0.34) SSTR2LRRK2MAPK1
SCHEMBL15214061 0.89 LRRK2 (0.39) LRRK2MAPK1MERTKAXLFGFR1
SCHEMBL10100667 0.88 MET (0.41) MERTKAXLFGFR1FGFR2FGFR3
SCHEMBL10100663 0.87 IRAK4 (0.37) LRRK2IRAK4MAPK1FGFR1FGFR2
SCHEMBL10100389 0.86 LRRK2 (0.41) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100608 0.85 LRRK2 (0.34) LRRK2MAP4K3
SCHEMBL10100614 0.85 LRRK2 (0.34) LRRK2MAP4K3
SCHEMBL10100385 0.85 LRRK2 (0.40) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100677 0.85 LRRK2 (0.40) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100676 0.84 LRRK2 (0.39) LRRK2MAPK1FGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 SSTR2 1426/4885LRRK2 856/4885IRAK4 1361/4885

“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.