SCHEMBL10100683

SCHEMBL10100683

CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN4CCOCC4)c(F)c3F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
LRRK2 Q5S007 8/20 0.37
AXL P30530 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
CYP2C19 P33261 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
S1PR1 P21453 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALK Q9UM73 1/20 0.34
EGFR P00533 1/20 0.34
MET P08581 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
SCHEMBL10100687 0.98 IKBKE (0.40) IKBKETBK1LRRK2AXLFGFR1
SCHEMBL10100570 0.96 IKBKE (0.39) IKBKETBK1LRRK2AXLFGFR1
SCHEMBL10100684 0.94 JAK2 (0.36) LRRK2FGFR1FGFR2FGFR3JAK2
SCHEMBL10100689 0.93 JAK2 (0.36) LRRK2FGFR1FGFR2FGFR3JAK2
SCHEMBL10100670 0.92 LRRK2 (0.39) IKBKETBK1LRRK2AXLFGFR1
SCHEMBL10100682 0.92 LRRK2 (0.40) LRRK2AXLFGFR1FGFR2FGFR3
SCHEMBL10100759 0.92 IKBKE (0.39) IKBKETBK1LRRK2AXLFGFR1
SCHEMBL10100690 0.91 LRRK2 (0.35) IKBKETBK1LRRK2FGFR1FGFR2
SCHEMBL10100685 0.91 LRRK2 (0.35) LRRK2FGFR1FGFR2FGFR3JAK2
SCHEMBL2359690 0.90 LRRK2 (0.39) IKBKETBK1LRRK2AXLFGFR1

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-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
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 IKBKE 254/4885TBK1 1287/4885LRRK2 856/4885

“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.