SCHEMBL10100381

SCHEMBL10100381

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OC4CCNCC4)c(F)c3F)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 2/20 0.42
LRRK2 Q5S007 3/20 0.40
FGFR1 P11362 5/20 0.38
FGFR2 P21802 5/20 0.38
FGFR3 P22607 5/20 0.38
JAK2 O60674 4/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38
ALK Q9UM73 2/20 0.36
GRK5 P34947 3/20 0.36
MET P08581 2/20 0.36
GRK2 P25098 2/20 0.36
FLT3 P36888 1/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL10100705 0.92 LRRK2 (0.41) MAP4K3LRRK2FGFR1FGFR2FGFR3
SCHEMBL10100641 0.91 CHEK1 (0.42) MAP4K3LRRK2FGFR1FGFR2FGFR3
SCHEMBL2358758 0.90 LRRK2 (0.39) LRRK2FGFR1FGFR2FGFR3MET
SCHEMBL2356833 0.90 LRRK2 (0.39) MAP4K3LRRK2FGFR1FGFR2FGFR3
Hydrochloric Acid SCHEMBL2357336 0.89 LRRK2 (0.39) LRRK2FGFR1FGFR2FGFR3MET
SCHEMBL10100624 0.89 MAP4K3 (0.43) MAP4K3LRRK2FGFR1FGFR2FGFR3
SCHEMBL10100639 0.89 LRRK2 (0.40) LRRK2FGFR1FGFR2FGFR3MET
SCHEMBL10100642 0.88 MAP4K3 (0.36) MAP4K3LRRK2
SCHEMBL10100638 0.87 LRRK2 (0.38) MAP4K3LRRK2FGFR1FGFR2FGFR3
SCHEMBL10100643 0.86 MKNK1 (0.43) MAP4K3LRRK2MET

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 164/4885LRRK2 856/4885FGFR1 133/4885

“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.