SCHEMBL10100705

SCHEMBL10100705

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OC4CCCCC4)c(F)c3F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.41
MAP4K3 Q8IVH8 1/20 0.41
MAPK1 P28482 5/20 0.40
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 2/20 0.37
MAP4K4 O95819 1/20 0.36
MET P08581 2/20 0.36
AXL P30530 3/20 0.35
MERTK Q12866 3/20 0.35
TTK P33981 1/20 0.35
MAPK8 P45983 1/20 0.35
TYRO3 Q06418 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
SCHEMBL10100381 0.92 MAP4K3 (0.42) LRRK2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL10100638 0.91 LRRK2 (0.38) LRRK2MAP4K3MAPK1FGFR1FGFR2
SCHEMBL2358758 0.91 LRRK2 (0.39) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL2356833 0.91 LRRK2 (0.39) LRRK2MAP4K3MAPK1FGFR1FGFR2
SCHEMBL10100641 0.91 CHEK1 (0.42) LRRK2MAP4K3MAPK1FGFR1FGFR2
Hydrochloric Acid SCHEMBL2357336 0.91 LRRK2 (0.39) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100639 0.90 LRRK2 (0.40) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100793 0.88 KCNN4 (0.38) MAP4K3MAP4K4
SCHEMBL10100795 0.87 MAP4K3 (0.35) MAP4K3
SCHEMBL15214061 0.86 LRRK2 (0.39) LRRK2MAPK1FGFR1FGFR2FGFR3

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 2 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US 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 LRRK2 856/4885MAP4K3 164/4885MAPK1 357/4885

“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.