SCHEMBL10100554

SCHEMBL10100554

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.38
CHEK2 O96017 2/20 0.36
NEK2 P51955 6/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN1 Q05586 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNN4 O15554 2/20 0.32
CDK2 P24941 4/20 0.31
PLK1 P53350 4/20 0.31
AURKA O14965 3/20 0.31
TTK P33981 3/20 0.31
GSK3B P49841 2/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
LYN P07948 1/20 0.31
MET P08581 1/20 0.31
SRC P12931 1/20 0.31
PRKD2 Q9BZL6 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
SCHEMBL10100556 0.97 NEK2 (0.35) FYNCHEK2NEK2GRIN2BGRIN1
SCHEMBL10100741 0.91 NEK2 (0.35) FYNCHEK2NEK2GRIN2BGRIN1
SCHEMBL10100575 0.91 KCNN4 (0.33) NEK2GRIN2BGRIN1KCNN4
SCHEMBL10100514 0.89 GRIN2B (0.32) NEK2GRIN2BGRIN1KCNN4
SCHEMBL10100649 0.87 NEK2 (0.37) FYNCHEK2NEK2GRIN2BKCNN4
SCHEMBL10100535 0.86 EPHX2 (0.42) FYNCHEK2KCNN4TLR7
SCHEMBL10100542 0.86 FYN (0.44) FYNCHEK2KCNN4TLR7
SCHEMBL10100738 0.85 FYN (0.44) FYNCHEK2KCNN4CDK2GSK3B
SCHEMBL10100763 0.85 KCNN4 (0.32) NEK2GRIN2BKCNN4
SCHEMBL10100549 0.85 FYN (0.44) FYNCHEK2GRIN2BKCNN4CDK2

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 FYN 532/4885CHEK2 109/4885NEK2 454/4885

“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.