SCHEMBL10100679

SCHEMBL10100679

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCCN4CCOCC4)c(F)c3F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.39
MET P08581 3/20 0.37
EGFR P00533 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ALK Q9UM73 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL10100682 0.98 LRRK2 (0.40) LRRK2METEGFRAXLMERTK
SCHEMBL10100384 0.95 MET (0.41) LRRK2METAXLALKPDPK1
SCHEMBL10100681 0.93 LRRK2 (0.39) LRRK2METAXLMERTKKDM4E
SCHEMBL10100678 0.92 LRRK2 (0.39) LRRK2METAXLMERTKKDM4E
SCHEMBL10100687 0.92 IKBKE (0.40) LRRK2AXLIKBKETBK1KDM4E
SCHEMBL10100677 0.91 LRRK2 (0.40) LRRK2MET
SCHEMBL2359690 0.90 LRRK2 (0.39) LRRK2METAXLIKBKETBK1
SCHEMBL10100706 0.90 MET (0.40) LRRK2METAXLALK
SCHEMBL10100676 0.90 LRRK2 (0.39) LRRK2MET
SCHEMBL10100697 0.90 MET (0.42) METAXLMERTK

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 856/4885MET 1/4885EGFR 13/4885

“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.