SCHEMBL13019693

SCHEMBL13019693

CC(C)(C)n1nc(-c2ccsc2)c2c(N)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.68
ABL1 P00519 9/20 0.68
KDR P35968 4/20 0.67
EGFR P00533 3/20 0.67
KDM4E B2RXH2 2/20 0.67
RIPK2 O43353 2/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
LCK P06239 2/20 0.67
FYN P06241 2/20 0.67
YES1 P07947 2/20 0.67
LYN P07948 2/20 0.67
PDGFRA P16234 2/20 0.67
PRKACA P17612 2/20 0.67
FRK P42685 2/20 0.67
HTT P42858 2/20 0.67
MAPK9 P45984 2/20 0.67
CSNK1A1 P48729 2/20 0.67
CSNK1D P48730 2/20 0.67
BLK P51451 2/20 0.67

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
SCHEMBL14617301 0.85 SRC (0.89) SRCABL1KDREGFRKDM4E
SCHEMBL409444 0.81 SRC (0.82) SRCABL1KDREGFRKDM4E
SCHEMBL409031 0.81 SRC (1.00) SRCABL1KDREGFRKDM4E
SCHEMBL29432587 0.80 SRC (1.00) SRCABL1KDREGFRKDM4E
SCHEMBL407934 0.80 SRC (1.00) SRCABL1KDREGFRKDM4E
SCHEMBL29355398 0.79 SRC (1.00) SRCABL1KDREGFRKDM4E
SCHEMBL1962682 0.79 SRC (0.78) SRCABL1KDREGFRKDM4E
SCHEMBL3610160 0.79 SRC (0.95) SRCABL1KDREGFRKDM4E
SCHEMBL375322 0.79 SRC (1.00) SRCABL1KDREGFRKDM4E
SCHEMBL5620074 0.79 SRC (0.78) SRCABL1KDREGFRKDM4E

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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 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 (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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 SRC 3123/4885ABL1 2641/4885KDR 4841/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885ABL1 1725/4885KDR 4598/4885

“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.