SCHEMBL13020179

SCHEMBL13020179

CN1CCC(C(=O)Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3C(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.50
LCK P06239 5/20 0.50
TEK Q02763 5/20 0.50
SRC P12931 3/20 0.50
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
GSK3B P49841 2/20 0.39
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
PKM P14618 1/20 0.37
ADK P55263 3/20 0.37
CHRM3 P20309 1/20 0.37
ABL1 P00519 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
WDR5 P61964 1/20 0.37
KMT2A Q03164 1/20 0.37
RET P07949 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL13020347 0.90 KDR (0.56) KDRLCKTEKSRCKDM4E
SCHEMBL13020105 0.88 KDR (0.54) KDRLCKTEKSRCKDM4E
SCHEMBL13020194 0.88 KDR (0.54) KDRLCKTEKSRCKDM4E
SCHEMBL13020176 0.84 KDR (0.50) KDRLCKTEKSRCKDM4E
SCHEMBL13020164 0.82 HTT (0.67) KDRLCKTEKSRCKDM4E
SCHEMBL13020173 0.81 KDM4E (0.63) KDRLCKTEKSRCKDM4E
SCHEMBL13020174 0.80 SRC (0.50) KDRLCKTEKSRCKDM4E
SCHEMBL13020138 0.80 LCK (0.61) KDRLCKTEKSRCKDM4E
SCHEMBL13020202 0.79 KDR (0.55) KDRLCKTEKSRCKDM4E
SCHEMBL13840229 0.78 LCK (0.56) KDRLCKTEKSRCKDM4E

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.