SCHEMBL13020138

SCHEMBL13020138

CC(C)(C)C(=O)Nc1ncnc2c1c(-c1ccc(Cl)cc1)cn2C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.61
KDR P35968 6/20 0.61
TEK Q02763 6/20 0.61
SRC P12931 3/20 0.61
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
ADK P55263 3/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
RET P07949 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL13020173 0.90 KDM4E (0.63) LCKKDRTEKSRCKDM4E
SCHEMBL13020175 0.87 LCK (0.58) LCKKDRTEKSRCKDM4E
SCHEMBL13020123 0.87 LCK (0.58) LCKKDRTEKSRCKDM4E
SCHEMBL13020347 0.85 KDR (0.56) LCKKDRTEKSRCKDM4E
SCHEMBL13840229 0.85 LCK (0.56) LCKKDRTEKSRCKDM4E
SCHEMBL13020106 0.85 ADK (0.49) LCKKDRTEKSRCKDM4E
SCHEMBL13020202 0.84 KDR (0.55) LCKKDRTEKSRCKDM4E
SCHEMBL13020194 0.83 KDR (0.54) LCKKDRTEKSRCKDM4E
SCHEMBL13020105 0.83 KDR (0.54) LCKKDRTEKSRCKDM4E
SCHEMBL13020179 0.80 KDR (0.50) LCKKDRTEKSRCKDM4E

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 LCK 1980/4885KDR 4598/4885TEK 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.