SCHEMBL190333

SCHEMBL190333

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C3CC3)O4)n2)cc(O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.49
EGFR P00533 5/20 0.49
AURKA O14965 4/20 0.49
ITK Q08881 3/20 0.49
JAK2 O60674 3/20 0.49
ADORA3 P0DMS8 2/20 0.49
TYRO3 Q06418 2/20 0.49
LCK P06239 2/20 0.49
LYN P07948 2/20 0.49
FGFR4 P22455 2/20 0.49
JAK1 P23458 2/20 0.49
JAK3 P52333 2/20 0.49
PLK4 O00444 2/20 0.49
STK16 O75716 2/20 0.49
RET P07949 2/20 0.49
FLT3 P36888 2/20 0.49
MAPK8 P45983 2/20 0.49
MAPK9 P45984 2/20 0.49
MST1R Q04912 2/20 0.49
PTK2 Q05397 2/20 0.49

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
SCHEMBL191238 0.95 SYK (0.54) SYKEGFRAURKAITKJAK2
SCHEMBL1384407 0.84 SYK (0.68) SYKEGFRAURKAITKJAK2
SCHEMBL190375 0.83 SYK (0.70) SYKEGFRAURKAJAK2LCK
SCHEMBL13007745 0.82 SYK (0.54) SYKEGFRAURKAITKJAK2
SCHEMBL1384343 0.82 SYK (0.61) SYKEGFRAURKAITKJAK2
SCHEMBL1380946 0.82 SYK (0.67) SYKEGFRAURKAITKJAK2
SCHEMBL190515 0.79 SYK (0.61) SYKEGFRITKJAK2LCK
SCHEMBL1382932 0.78 SYK (0.53) SYKEGFRAURKAITKJAK2
SCHEMBL189926 0.77 SYK (0.46) SYKEGFRITKJAK2LCK
SCHEMBL1381667 0.77 SYK (0.51) SYKEGFRAURKAITKJAK2

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
EP-1814878-B1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2012-01-04 EP disclosed
US-7851480-B2 Spiro 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-20090062270-A1 SPIRO 2,4 PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2009-03-05 US disclosed
EP-1814878-A1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
WO-2006068770-A1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2006-06-29 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-20090062270-A1 SPIRO 2,4 PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES SSB, SPHK2, PKD2 SYK 1168/4885EGFR 4643/4885AURKA 2921/4885

“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.