SCHEMBL10100624

SCHEMBL10100624

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCC4CCNCC4)c(F)c3F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 5/20 0.43
KCNN4 O15554 1/20 0.39
LRRK2 Q5S007 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MELK Q14680 2/20 0.38
BRD4 O60885 1/20 0.38
FGFR1 P11362 3/20 0.37
FGFR2 P21802 3/20 0.37
FGFR3 P22607 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CHEK1 O14757 1/20 0.37
ALK Q9UM73 2/20 0.36
AXL P30530 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10100799 0.92 KCNN4 (0.42) MAP4K3KCNN4LRRK2BRD4FGFR1
SCHEMBL10100628 0.90 MAP4K3 (0.39) MAP4K3KCNN4LRRK2TLR9TLR8
SCHEMBL10100663 0.90 IRAK4 (0.37) MAP4K3LRRK2FGFR1FGFR2FGFR3
SCHEMBL10100700 0.89 KCNN4 (0.40) MAP4K3KCNN4LRRK2BRD4FGFR1
SCHEMBL10100659 0.89 KCNN4 (0.40) KCNN4LRRK2BRD4FGFR1FGFR2
SCHEMBL12539052 0.89 MAP4K3 (0.55) MAP4K3FGFR1FGFR2FGFR3JAK2
SCHEMBL10100381 0.89 MAP4K3 (0.42) MAP4K3LRRK2FGFR1FGFR2FGFR3
SCHEMBL10100618 0.88 MAP4K3 (0.36) MAP4K3KCNN4LRRK2TLR9TLR8
SCHEMBL10100630 0.88 MAP4K3 (0.50) MAP4K3FGFR1FGFR2FGFR3JAK2
SCHEMBL10100609 0.88 MAP4K3 (0.36) MAP4K3KCNN4LRRK2TLR9TLR8

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 4066/4885LRRK2 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.