SCHEMBL12554362

SCHEMBL12554362

CNOC(=O)C1Cc2cc(Nc3ncc(F)c(Nc4ccccc4)n3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
EGFR P00533 4/20 0.49
AURKA O14965 7/20 0.49
JAK2 O60674 2/20 0.49
AURKB Q96GD4 2/20 0.49
SYK P43405 6/20 0.49
CDK2 P24941 4/20 0.48
ITK Q08881 2/20 0.48
MAPK8 P45983 2/20 0.48
PLK4 O00444 1/20 0.48
PDPK1 O15530 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
NTRK1 P04629 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CDK1 P06493 1/20 0.48
FES P07332 1/20 0.48

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
SCHEMBL8999867 0.92 GSK3A (0.53) GSK3AGSK3BEGFRAURKAJAK2
SCHEMBL8999857 0.89 GSK3A (0.53) GSK3AGSK3BEGFRAURKAJAK2
SCHEMBL655277 0.84 AURKA (0.48) EGFRAURKASYKCDK2ITK
SCHEMBL656605 0.84 SYK (0.48) EGFRAURKASYKCDK2ITK
SCHEMBL21282231 0.83 GSK3A (0.53) GSK3AGSK3BEGFRAURKAJAK2
SCHEMBL23366154 0.82 SYK (0.57) GSK3AGSK3BEGFRAURKAJAK2
SCHEMBL656468 0.82 EGFR (0.47) EGFRSYKITKBTK
SCHEMBL656929 0.81 SYK (0.60) EGFRAURKASYKITK
SCHEMBL656927 0.81 SYK (0.45) EGFRAURKASYKCDK2ITK
SCHEMBL656308 0.81 SYK (0.62) EGFRAURKASYKITKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-16 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-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses FCER2, FCGR1A, FCGR2A GSK3A 2114/4885GSK3B 2088/4885EGFR 903/4885

“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.