SCHEMBL10100526

SCHEMBL10100526

CN(C)CCCOc1ccc(-n2nnnc2-c2cc(-c3ccnc(Cl)c3)cnc2N)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.39
CHEK2 O96017 1/20 0.38
NTRK1 P04629 1/20 0.34
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
TLR7 Q9NYK1 4/20 0.32
KCNN4 O15554 2/20 0.32
ATR Q13535 2/20 0.32
ROS1 P08922 1/20 0.30
ALK Q9UM73 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL10100738 0.90 FYN (0.44) FYNCHEK2NTRK1CDC7ROCK2
SCHEMBL10100477 0.89 KCNN4 (0.32) FYNTLR7KCNN4AAK1
SCHEMBL10100551 0.89 FYN (0.43) FYNCHEK2MAP4K4TLR7KCNN4
SCHEMBL10100542 0.88 FYN (0.44) FYNCHEK2TLR7KCNN4ATR
SCHEMBL10100535 0.86 EPHX2 (0.42) FYNCHEK2TLR7KCNN4
SCHEMBL10100737 0.86 PIK3C3 (0.44) CHEK2
SCHEMBL10100545 0.86 FYN (0.55) FYNCHEK2TLR7KCNN4
SCHEMBL10100539 0.85 FYN (0.46) FYNCHEK2MAP4K4TLR7KCNN4
SCHEMBL10100533 0.85 FYN (0.43) FYNCHEK2TLR7
SCHEMBL10100515 0.85 LRRK2 (0.41) FYNCHEK2MAP4K4

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 109/4885NTRK1 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.