SCHEMBL10100670

SCHEMBL10100670

CC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN4CCOCC4)c(F)c3F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.39
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
JAK2 O60674 2/20 0.37
S1PR1 P21453 1/20 0.36
ALK Q9UM73 1/20 0.35
AXL P30530 1/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
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
SCHEMBL2359690 0.98 LRRK2 (0.39) LRRK2IKBKETBK1JAK2S1PR1
SCHEMBL10100671 0.94 JAK2 (0.38) LRRK2JAK2FGFR1FGFR2FGFR3
SCHEMBL2360012 0.93 JAK2 (0.38) LRRK2JAK2FGFR1FGFR2FGFR3
SCHEMBL10100683 0.92 IKBKE (0.39) LRRK2IKBKETBK1JAK2S1PR1
SCHEMBL10100669 0.92 JAK2 (0.36) LRRK2IKBKETBK1JAK2FGFR1
SCHEMBL10100673 0.91 JAK2 (0.36) LRRK2JAK2FGFR1MET
SCHEMBL10100571 0.90 LRRK2 (0.40) LRRK2IKBKETBK1S1PR1ALK
SCHEMBL10100687 0.90 IKBKE (0.40) LRRK2IKBKETBK1JAK2S1PR1
SCHEMBL10100434 0.90 JAK2 (0.36) LRRK2JAK2AXLFGFR1FGFR2
SCHEMBL10100682 0.90 LRRK2 (0.40) LRRK2ALKAXLFGFR1FGFR2

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 856/4885IKBKE 254/4885TBK1 1287/4885

“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.