SCHEMBL3779239

SCHEMBL3779239

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.55
ABL1 P00519 7/20 0.55
RET P07949 7/20 0.53
KDR P35968 5/20 0.53
LCK P06239 3/20 0.53
RIPK2 O43353 3/20 0.53
FYN P06241 3/20 0.53
CSNK1D P48730 3/20 0.53
EGFR P00533 3/20 0.53
PRKD3 O94806 3/20 0.53
PRKD2 Q9BZL6 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
YES1 P07947 2/20 0.53
LYN P07948 2/20 0.53
PDGFRA P16234 2/20 0.53
PRKACA P17612 2/20 0.53
FRK P42685 2/20 0.53
HTT P42858 2/20 0.53

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
SCHEMBL30071096 0.85 SRC (0.55) SRCABL1RETKDRLCK
SCHEMBL20874994 0.85 SRC (0.55) SRCABL1RETKDRLCK
SCHEMBL19476926 0.81 SRC (0.51) SRCABL1RETKDRLCK
SCHEMBL30071219 0.81 SRC (0.51) SRCABL1RETKDRLCK
SCHEMBL20886319 0.79 SRC (0.49) SRCABL1RETKDRLCK
SCHEMBL13019650 0.79 SRC (0.64) SRCABL1RETKDRLCK
SCHEMBL13019696 0.77 SRC (0.73) SRCABL1RETKDRLCK
SCHEMBL23055859 0.76 SRC (0.58) SRCABL1RETKDRLCK
SCHEMBL22521563 0.76 KDM4E (0.63) SRCABL1RETKDRLCK
SCHEMBL3782929 0.76 SRC (0.58) SRCABL1RETKDRLCK

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 2 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

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 1725/4885RET 3063/4885

“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.