SCHEMBL13020105

SCHEMBL13020105

CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c(NC(=O)C3CCCC3)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
LCK P06239 5/20 0.54
TEK Q02763 5/20 0.54
SRC P12931 3/20 0.54
GSK3B P49841 6/20 0.49
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADK P55263 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
RET P07949 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL13020194 0.98 KDR (0.54) KDRLCKTEKSRCGSK3B
SCHEMBL13020347 0.96 KDR (0.56) KDRLCKTEKSRCGSK3B
SCHEMBL13020166 0.89 GSK3B (0.49) KDRLCKTEKSRCGSK3B
SCHEMBL13020179 0.88 KDR (0.50) KDRLCKTEKSRCGSK3B
SCHEMBL13020176 0.88 KDR (0.50) KDRLCKTEKSRCGSK3B
SCHEMBL13020174 0.86 SRC (0.50) KDRLCKTEKSRCGSK3B
SCHEMBL13020173 0.84 KDM4E (0.63) KDRLCKTEKSRCHTT
SCHEMBL13020139 0.84 GSK3B (0.49) KDRGSK3BHTTKDM4EALDH1A1
SCHEMBL13020138 0.83 LCK (0.61) KDRLCKTEKSRCHTT
SCHEMBL13020202 0.83 KDR (0.55) KDRLCKTEKSRCGSK3B

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 KDR 4598/4885LCK 1980/4885TEK 4347/4885

“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.