SCHEMBL13020166

SCHEMBL13020166

CC(C)(C)n1cc(-c2cccc(Cl)c2)c2c(NC(=O)C3CCCC3)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.49
EGFR P00533 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
KMT2A Q03164 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
TP53 P04637 2/20 0.40
RIPK2 O43353 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
LMNA P02545 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL13020105 0.89 KDR (0.54) GSK3BADORA3ADORA2AADORA1LCK
SCHEMBL13020194 0.87 KDR (0.54) GSK3BLCKSRCKDRTEK
SCHEMBL13020347 0.85 KDR (0.56) GSK3BLCKSRCKDRTEK
SCHEMBL13020169 0.83 VCP (0.45) GSK3BEGFRADORA1LCKSRC
SCHEMBL13020179 0.78 KDR (0.50) GSK3BLCKSRCKDRTEK
SCHEMBL13020176 0.78 KDR (0.50) GSK3BLCKSRCKDRTEK
SCHEMBL13020174 0.76 SRC (0.50) GSK3BLCKSRCKDRTEK
SCHEMBL13020124 0.74 ABL1 (0.44) GSK3BEGFRSRCKDR
SCHEMBL13020146 0.74 SRC (0.73) EGFRLCKSRCKDRTEK
SCHEMBL13020139 0.74 GSK3B (0.49) GSK3BKDRTP53

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 GSK3B 3843/4885EGFR 3921/4885ADORA3 4611/4885

“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.