SCHEMBL10100738

SCHEMBL10100738

COc1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.44
CHEK2 O96017 1/20 0.39
NTRK1 P04629 1/20 0.34
KCNN4 O15554 2/20 0.33
ATR Q13535 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR7 Q9NYK1 3/20 0.32
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
KDR P35968 1/20 0.32
ETV6 P41212 1/20 0.32

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
SCHEMBL10100526 0.90 FYN (0.39) FYNCHEK2NTRK1KCNN4ATR
SCHEMBL10100539 0.88 FYN (0.46) FYNCHEK2KCNN4TLR7MAP4K4
SCHEMBL10100533 0.88 FYN (0.43) FYNCHEK2TLR7
SCHEMBL10100542 0.87 FYN (0.44) FYNCHEK2KCNN4ATRTLR7
SCHEMBL10100535 0.86 EPHX2 (0.42) FYNCHEK2KCNN4TLR7KDR
SCHEMBL10100737 0.85 PIK3C3 (0.44) CHEK2
SCHEMBL10100554 0.85 FYN (0.38) FYNCHEK2KCNN4TLR7CDC7
SCHEMBL10100551 0.85 FYN (0.43) FYNCHEK2KCNN4TLR7MAP4K4
SCHEMBL10100545 0.85 FYN (0.55) FYNCHEK2KCNN4TLR7
SCHEMBL10100587 0.85 FYN (0.42) FYNCHEK2KCNN4KCNH2MAP4K4

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 4 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

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 109/4885NTRK1 648/4885

“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.