SCHEMBL10100630

SCHEMBL10100630

Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1-c1nnnn1-c1ccc(OCC2CCNCC2)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 4/20 0.50
JAK2 O60674 6/20 0.43
JAK1 P23458 3/20 0.43
JAK3 P52333 3/20 0.43
TYK2 P29597 2/20 0.43
GRK5 P34947 4/20 0.43
GRK2 P25098 3/20 0.43
MET P08581 4/20 0.42
ALK Q9UM73 2/20 0.42
KCNH2 Q12809 2/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42

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
SCHEMBL12539052 0.94 MAP4K3 (0.55) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL10100802 0.92 JAK2 (0.44) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL10100665 0.91 MET (0.41) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL10100695 0.90 JAK2 (0.43) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL10100662 0.90 JAK2 (0.42) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL12538908 0.89 JAK2 (0.50) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL10100624 0.88 MAP4K3 (0.43) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL10100804 0.87 MET (0.43) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL12538879 0.86 MAP4K3 (0.47) MAP4K3JAK2JAK1JAK3TYK2
SCHEMBL10100465 0.86 JAK2 (0.45) JAK2JAK1JAK3TYK2GRK5

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 164/4885JAK2 59/4885JAK1 161/4885

“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.