SCHEMBL10100663

SCHEMBL10100663

Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCC4CCNC4)c(F)c3F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.37
LRRK2 Q5S007 2/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
IRAK1 P51617 2/20 0.35
FGFR1 P11362 5/20 0.34
FGFR2 P21802 5/20 0.34
FGFR3 P22607 5/20 0.34
CTSS P25774 1/20 0.34
MAPK1 P28482 3/20 0.34
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
MET P08581 1/20 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
SCHEMBL10100664 0.91 MET (0.37) IRAK4LRRK2MAP4K3IRAK1FGFR1
SCHEMBL15214061 0.90 LRRK2 (0.39) LRRK2FGFR1FGFR2FGFR3MAPK1
SCHEMBL10100624 0.90 MAP4K3 (0.43) LRRK2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL10100665 0.88 MET (0.41) MAP4K3FGFR1FGFR2FGFR3JAK2
SCHEMBL10100666 0.87 SSTR2 (0.38) IRAK4LRRK2MAP4K3FGFR1FGFR2
SCHEMBL10100609 0.85 MAP4K3 (0.36) LRRK2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL10100618 0.85 MAP4K3 (0.36) LRRK2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL10100381 0.85 MAP4K3 (0.42) LRRK2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL2358505 0.84 LRRK2 (0.42) LRRK2FGFR1FGFR2FGFR3MAPK1
SCHEMBL10100641 0.84 CHEK1 (0.42) LRRK2MAP4K3FGFR1FGFR2FGFR3

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 IRAK4 1361/4885LRRK2 856/4885MAP4K3 164/4885

“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.