SCHEMBL10100517

SCHEMBL10100517

CC(C)Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.37
FYN P06241 2/20 0.37
CHEK2 O96017 1/20 0.36
JAK2 O60674 2/20 0.35
LRRK2 Q5S007 1/20 0.35
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
MAPK1 P28482 3/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
PIK3CA P42336 2/20 0.32
PDPK1 O15530 1/20 0.32
NTRK1 P04629 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL10100397 0.97 LRRK2 (0.35) METFYNCHEK2JAK2LRRK2
SCHEMBL10100534 0.93 JAK2 (0.37) METFYNCHEK2JAK2LRRK2
SCHEMBL10100573 0.91 LRRK2 (0.36) METJAK2LRRK2FGFR1FGFR2
SCHEMBL10100650 0.91 JAK2 (0.37) METFYNCHEK2JAK2LRRK2
SCHEMBL10100521 0.90 FYN (0.38) METFYNCHEK2JAK2LRRK2
SCHEMBL10100474 0.90 JAK2 (0.35) METJAK2LRRK2FGFR1FGFR2
SCHEMBL10100392 0.90 JAK2 (0.38) METFYNJAK2LRRK2FGFR1
SCHEMBL10100515 0.88 LRRK2 (0.41) METFYNCHEK2LRRK2FGFR1
SCHEMBL10100390 0.88 LRRK2 (0.45) METFYNCHEK2JAK2LRRK2
SCHEMBL10100393 0.87 LRRK2 (0.38) METFYNJAK2LRRK2FGFR1

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 MET 1/4885FYN 532/4885CHEK2 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.