SCHEMBL10100521

SCHEMBL10100521

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.38
LRRK2 Q5S007 1/20 0.37
CHEK2 O96017 1/20 0.36
JAK2 O60674 2/20 0.36
MET P08581 4/20 0.35
KCNN4 O15554 2/20 0.34
MAPK1 P28482 2/20 0.34
PDPK1 O15530 1/20 0.33
PIK3CA P42336 1/20 0.33
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR3 P22607 2/20 0.32
NTRK1 P04629 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL10100393 0.97 LRRK2 (0.38) FYNLRRK2JAK2METKCNN4
SCHEMBL10100534 0.92 JAK2 (0.37) FYNLRRK2CHEK2JAK2MET
SCHEMBL10100572 0.92 LRRK2 (0.37) FYNLRRK2JAK2METKCNN4
SCHEMBL10100390 0.91 LRRK2 (0.45) FYNLRRK2CHEK2JAK2MET
SCHEMBL10100515 0.91 LRRK2 (0.41) FYNLRRK2CHEK2METMAPK1
SCHEMBL10100517 0.90 MET (0.37) FYNLRRK2CHEK2JAK2MET
SCHEMBL10100650 0.90 JAK2 (0.37) FYNLRRK2CHEK2JAK2MET
SCHEMBL10100472 0.89 LRRK2 (0.37) FYNLRRK2JAK2METKCNN4
SCHEMBL10100392 0.89 JAK2 (0.38) FYNLRRK2JAK2METKCNN4
SCHEMBL10100656 0.88 LRRK2 (0.40) FYNLRRK2CHEK2METMAPK1

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 FYN 532/4885LRRK2 856/4885CHEK2 109/4885

“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.