SCHEMBL13020126

SCHEMBL13020126

CCC(=O)Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.49
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SRC P12931 2/20 0.44
EGFR P00533 4/20 0.41
PSMC4 P43686 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR4 P51679 1/20 0.38
BRAF P15056 1/20 0.38
LCK P06239 1/20 0.37
RET P07949 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL13020180 0.89 KDM4E (0.48) VCPHTTKDM4EALDH1A1SRC
SCHEMBL13020171 0.87 KDM4E (0.46) VCPHTTKDM4EALDH1A1SRC
SCHEMBL3791047 0.86 VCP (0.46) VCPHTTKDM4EALDH1A1SRC
SCHEMBL13020203 0.85 ALDH1A1 (0.44) VCPHTTKDM4EALDH1A1SRC
SCHEMBL13020124 0.84 ABL1 (0.44) VCPHTTKDM4EALDH1A1SRC
SCHEMBL3788091 0.78 SRC (0.60) SRCEGFRCYP1A2CYP2C9CYP2C19
SCHEMBL13019982 0.75 HTT (0.78) VCPHTTKDM4EALDH1A1SRC
SCHEMBL13673068 0.73 VCP (0.82) VCPHTTKDM4EALDH1A1SRC
SCHEMBL13020169 0.72 VCP (0.45) VCPHTTKDM4EALDH1A1SRC
SCHEMBL13840199 0.70 BTK (0.39) EGFRCCR4RETKDRERBB2

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 VCP 146/4885HTT 187/4885KDM4E 4425/4885

“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.