SCHEMBL10100607

SCHEMBL10100607

Cc1csc(-c2cnc(N)c(-c3nnnn3-c3c(F)cc(OCCN(C)C)cc3F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.36
NEK2 P51955 4/20 0.33
GRIN1 Q05586 2/20 0.33
TLR7 Q9NYK1 3/20 0.32
EGLN2 Q96KS0 1/20 0.32
PLK1 P53350 2/20 0.32
AURKA O14965 2/20 0.32
CDK2 P24941 2/20 0.32
TTK P33981 2/20 0.32
CHEK2 O96017 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
LYN P07948 1/20 0.32
MET P08581 1/20 0.32
SRC P12931 1/20 0.32
GSK3B P49841 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
NTRK1 P04629 1/20 0.31

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
SCHEMBL10100606 0.87 CHEK1 (0.38) GRIN2BNEK2TLR7CDK2CHEK2
SCHEMBL10100604 0.84 EPHX2 (0.44) TLR7CHEK2FYNNTRK1
SCHEMBL10100556 0.82 NEK2 (0.35) GRIN2BNEK2GRIN1TLR7PLK1
SCHEMBL10100602 0.82 LRRK2 (0.41) MET
SCHEMBL10100741 0.82 NEK2 (0.35) GRIN2BNEK2GRIN1TLR7PLK1
SCHEMBL10100786 0.81 EPHX2 (0.42) TLR7CHEK2FYNNTRK1
SCHEMBL10100603 0.80 LRRK2 (0.45) TLR7MET
SCHEMBL10100619 0.80 MAPK1 (0.39) MET
SCHEMBL10100554 0.79 FYN (0.38) GRIN2BNEK2GRIN1TLR7PLK1
SCHEMBL10100785 0.78 LRRK2 (0.40) MET

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 GRIN2B 3446/4885NEK2 454/4885GRIN1 2831/4885

“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.