SCHEMBL10100628

SCHEMBL10100628

CC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCC4CCNCC4)c(F)c3F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 5/20 0.39
KCNN4 O15554 1/20 0.37
JAK2 O60674 9/20 0.36
JAK3 P52333 5/20 0.36
JAK1 P23458 4/20 0.36
TYK2 P29597 4/20 0.36
MET P08581 5/20 0.35
ALK Q9UM73 4/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MELK Q14680 2/20 0.35
FGFR3 P22607 3/20 0.34
FGFR1 P11362 2/20 0.34
PLK4 O00444 2/20 0.34
AURKA O14965 2/20 0.34
DCLK1 O15075 2/20 0.34
PRKD3 O94806 2/20 0.34
ABL1 P00519 2/20 0.34
NTRK1 P04629 2/20 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
SCHEMBL10100800 0.92 KCNN4 (0.39) MAP4K3KCNN4JAK2METNTRK1
SCHEMBL10100664 0.91 MET (0.37) MAP4K3JAK2JAK3JAK1TYK2
SCHEMBL10100694 0.91 KCNN4 (0.38) MAP4K3KCNN4JAK2JAK3JAK1
SCHEMBL10100660 0.91 KCNN4 (0.38) MAP4K3KCNN4JAK2METNTRK1
SCHEMBL10100624 0.90 MAP4K3 (0.43) MAP4K3KCNN4JAK2JAK3JAK1
SCHEMBL10100609 0.88 MAP4K3 (0.36) MAP4K3KCNN4JAK2JAK3JAK1
SCHEMBL10100618 0.88 MAP4K3 (0.36) MAP4K3KCNN4JAK2JAK3JAK1
SCHEMBL10100803 0.87 JAK2 (0.35) KCNN4JAK2METNTRK1KDR
SCHEMBL10100674 0.85 PRPS1 (0.34) JAK2JAK3JAK1TYK2MET
SCHEMBL10100703 0.84 JAK2 (0.38) KCNN4JAK2METNTRK1KDR

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 MAP4K3 164/4885KCNN4 4066/4885JAK2 59/4885

“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.