SCHEMBL10100385

SCHEMBL10100385

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCCC4)c(F)c3F)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
MAPK1 P28482 4/20 0.36
FGFR1 P11362 4/20 0.36
FGFR2 P21802 3/20 0.36
FGFR3 P22607 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAP4K4 O95819 1/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
MET P08581 2/20 0.35
ACVRL1 P37023 2/20 0.35
ACVR1 Q04771 2/20 0.35
BMPR1B O00238 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL10100389 0.99 LRRK2 (0.41) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100676 0.96 LRRK2 (0.39) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100678 0.95 LRRK2 (0.39) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100677 0.95 LRRK2 (0.40) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100681 0.94 LRRK2 (0.39) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100384 0.92 MET (0.41) LRRK2MAPK1MET
SCHEMBL10100431 0.90 JAK2 (0.35) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100430 0.90 SMN1; SMN2 (0.39) SMN1; SMN2TLR7
SCHEMBL10100403 0.90 JAK2 (0.36) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100458 0.90 JAK2 (0.35) 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 LRRK2 856/4885MAPK1 357/4885FGFR1 133/4885

“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.