SCHEMBL10100619

SCHEMBL10100619

CC(C)n1cc(-c2cnc(N)c(-c3nnnn3-c3c(F)cc(OCCN(C)C)cc3F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
MET P08581 2/20 0.39
LRRK2 Q5S007 9/20 0.36
AXL P30530 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
JAK2 O60674 1/20 0.33
MAP3K5 Q99683 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
SCHEMBL10100602 0.89 LRRK2 (0.41) MAPK1METLRRK2AXLFGFR1
SCHEMBL10100603 0.87 LRRK2 (0.45) MAPK1METLRRK2AXLPIK3CD
SCHEMBL10100785 0.85 LRRK2 (0.40) MAPK1METLRRK2AXLFGFR1
SCHEMBL10100620 0.84 FGFR1 (0.40) METFGFR1FGFR2FGFR3JAK2
SCHEMBL10100783 0.84 LRRK2 (0.43) MAPK1METLRRK2AXLPIK3CD
SCHEMBL10100605 0.82 MET (0.43) METAXLFGFR1FGFR2FGFR3
SCHEMBL10100604 0.81 EPHX2 (0.44)
SCHEMBL10100607 0.80 GRIN2B (0.36) MET
SCHEMBL10100606 0.79 CHEK1 (0.38)
SCHEMBL10100786 0.78 EPHX2 (0.42)

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 MAPK1 357/4885MET 1/4885LRRK2 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.