SCHEMBL5014748

SCHEMBL5014748

C#CCOc1ccc(Nc2nc(Nc3ccc(C)c(S(=O)(=O)NC(=O)CCC)c3)ncc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.60
EGFR P00533 4/20 0.60
ITK Q08881 3/20 0.60
JAK2 O60674 3/20 0.60
PLK4 O00444 1/20 0.60
AURKA O14965 1/20 0.60
PDPK1 O15530 1/20 0.60
DAPK3 O43293 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60
CHEK2 O96017 1/20 0.60
ERBB2 P04626 1/20 0.60
NTRK1 P04629 1/20 0.60
PRKCG P05129 1/20 0.60
INSR P06213 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
CDK1 P06493 1/20 0.60
CSF1R P07333 1/20 0.60
LYN P07948 1/20 0.60

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
SCHEMBL5014360 0.99 SYK (0.59) SYKEGFRITKJAK2PLK4
SCHEMBL5014358 0.99 SYK (0.59) SYKEGFRITKJAK2PLK4
SCHEMBL5012683 0.95 SYK (0.58) SYKEGFRITKJAK2PLK4
SCHEMBL5015993 0.95 SYK (0.58) SYKEGFRITKJAK2PLK4
SCHEMBL5012697 0.95 SYK (0.58) SYKEGFRITKJAK2PLK4
SCHEMBL5012707 0.95 SYK (0.58) SYKEGFRITKJAK2PLK4
SCHEMBL5013973 0.94 SYK (0.57) SYKEGFRITKJAK2PLK4
SCHEMBL5013969 0.94 SYK (0.57) SYKEGFRITKJAK2PLK4
R-348 SCHEMBL29609719 0.94 SYK (0.62) SYKEGFRITKJAK2PLK4
R-348 SCHEMBL1275805 0.94 SYK (0.62) SYKEGFRITKJAK2PLK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US claimed
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US claimed
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2007-08-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SYK 62/4885EGFR 529/4885ITK 637/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 SYK 233/4885EGFR 1716/4885ITK 335/4885

“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.