SCHEMBL10100799

SCHEMBL10100799

CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cnn(C)c4)cnc3N)c(F)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
LRRK2 Q5S007 1/20 0.39
BRD4 O60885 1/20 0.38
AXL P30530 8/20 0.38
MERTK Q12866 5/20 0.37
MAPK1 P28482 3/20 0.36
FGFR1 P11362 2/20 0.36
FGFR2 P21802 2/20 0.36
FGFR3 P22607 2/20 0.36
MAP4K4 O95819 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.35
MET P08581 2/20 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
SCHEMBL10100659 0.92 KCNN4 (0.40) KCNN4LRRK2BRD4AXLMERTK
SCHEMBL10100700 0.92 KCNN4 (0.40) KCNN4LRRK2BRD4AXLMERTK
SCHEMBL10100624 0.92 MAP4K3 (0.43) KCNN4LRRK2BRD4AXLMAPK1
SCHEMBL10100800 0.90 KCNN4 (0.39) KCNN4LRRK2AXLMERTKMAPK1
SCHEMBL10100802 0.88 JAK2 (0.44) KCNN4AXLMERTKFGFR1FGFR2
SCHEMBL15214061 0.86 LRRK2 (0.39) KCNN4LRRK2AXLMERTKMAPK1
SCHEMBL10100801 0.85 KCNN4 (0.42) KCNN4BRD4
SCHEMBL12539052 0.84 MAP4K3 (0.55) FGFR1FGFR2FGFR3MAP4K3MET
SCHEMBL2358505 0.84 LRRK2 (0.42) LRRK2MAPK1FGFR1FGFR2FGFR3
SCHEMBL10100705 0.83 LRRK2 (0.41) LRRK2AXLMERTKMAPK1FGFR1

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 KCNN4 4066/4885LRRK2 856/4885BRD4 2170/4885

“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.