SCHEMBL13020106

SCHEMBL13020106

CCn1cc(-c2ccc(Cl)cc2)c2c(NC(=O)C(C)(C)C)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADK P55263 5/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
FLT3 P36888 3/20 0.46
LCK P06239 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
CA12 O43570 7/20 0.40
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA9 Q16790 7/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PDE11A Q9HCR9 1/20 0.39
LMNA P02545 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
SCHEMBL3789169 0.88 KDM4E (0.54) ADKKDM4EALDH1A1HTTFLT3
SCHEMBL13020030 0.87 ADK (0.52) ADKKDM4EALDH1A1HTTFLT3
SCHEMBL13020121 0.85 ADK (0.49) ADKKDM4EALDH1A1HTTFLT3
SCHEMBL13020138 0.85 LCK (0.61) ADKKDM4EALDH1A1HTTLCK
SCHEMBL13020031 0.83 ADK (0.54) ADKKDM4EALDH1A1HTTFLT3
SCHEMBL13020113 0.83 ADK (0.47) ADKKDM4EALDH1A1HTTFLT3
SCHEMBL13020080 0.82 ADK (0.47) ADKKDM4EALDH1A1HTTFLT3
SCHEMBL13020139 0.82 GSK3B (0.49) ADKKDM4EALDH1A1HTTFLT3
SCHEMBL13020081 0.82 ADK (0.46) ADKKDM4EALDH1A1HTTFLT3
SCHEMBL3784312 0.79 CA12 (0.47) ADKALDH1A1LCKSRCKDR

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 ADK 3845/4885KDM4E 4425/4885ALDH1A1 3475/4885

“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.