SCHEMBL10100741

SCHEMBL10100741

Cc1csc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN(C)C)c(C)c3F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 6/20 0.35
FYN P06241 3/20 0.33
GRIN2B Q13224 4/20 0.33
KCNN4 O15554 2/20 0.33
GRIN1 Q05586 2/20 0.32
PLK1 P53350 4/20 0.32
AURKA O14965 3/20 0.32
CDK2 P24941 3/20 0.32
TTK P33981 3/20 0.32
CHEK2 O96017 2/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 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
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL10100556 0.94 NEK2 (0.35) NEK2FYNGRIN2BKCNN4GRIN1
SCHEMBL10100763 0.92 KCNN4 (0.32) NEK2GRIN2BKCNN4
SCHEMBL10100554 0.91 FYN (0.38) NEK2FYNGRIN2BKCNN4GRIN1
SCHEMBL10100575 0.86 KCNN4 (0.33) NEK2GRIN2BKCNN4GRIN1
SCHEMBL10100775 0.86 EPHX2 (0.42) FYNKCNN4CHEK2NTRK1TLR7
SCHEMBL10100772 0.86 FYN (0.40) FYNKCNN4CHEK2NTRK1TLR7
SCHEMBL10100742 0.86 KIT (0.36) GRIN2BLCKMETSRC
SCHEMBL10100773 0.84 FYN (0.45) NEK2FYNGRIN2BKCNN4CDK2
SCHEMBL10100770 0.84 KCNN4 (0.37) FYNKCNN4CHEK2
SCHEMBL10100774 0.84 FYN (0.41) FYNKCNN4CHEK2

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 NEK2 454/4885FYN 532/4885GRIN2B 3446/4885

“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.