SCHEMBL3779332

SCHEMBL3779332

CC(C)(C)n1nc(Oc2ccccc2)c2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.62
ABL1 P00519 8/20 0.62
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
PRKDC P78527 1/20 0.55
KDR P35968 4/20 0.54
LCK P06239 3/20 0.54
TEK Q02763 2/20 0.54
PRKD3 O94806 5/20 0.52
PRKD2 Q9BZL6 5/20 0.52
RIPK2 O43353 4/20 0.52
FYN P06241 4/20 0.52
PRKD1 Q15139 4/20 0.52
CSNK1D P48730 3/20 0.52
CSK P41240 3/20 0.52
MAPK8 P45983 3/20 0.52
CDK2 P24941 2/20 0.52
CAMK2A Q9UQM7 2/20 0.52

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
SCHEMBL13019906 0.94 SRC (0.56) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019908 0.90 SRC (0.60) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019974 0.89 PIK3CD (0.56) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019978 0.88 SRC (0.52) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019878 0.87 SRC (0.64) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019916 0.87 KDM4E (0.64) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019879 0.87 SRC (0.58) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019898 0.87 SRC (0.50) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019876 0.87 SRC (0.63) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL13019923 0.86 KDM4E (0.53) SRCABL1PIK3CDPIK3CAPIK3CB

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885ABL1 1725/4885PIK3CD 2217/4885

“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.