SCHEMBL13020141

SCHEMBL13020141

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.46
TEK Q02763 7/20 0.46
LCK P06239 5/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
FLT3 P36888 1/20 0.43
SRC P12931 1/20 0.43
PDGFRB P09619 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
ADK P55263 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
PIK3CD O00329 1/20 0.41

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
SCHEMBL13020121 0.85 ADK (0.49) KDRTEKLCKKDM4EALDH1A1
SCHEMBL13020123 0.85 LCK (0.58) KDRTEKLCKKDM4EALDH1A1
SCHEMBL13020100 0.76 KDR (0.68) KDRTEKLCKFLT3SRC
SCHEMBL13020165 0.74 HPGD (0.43) KDRTEKKDM4EALDH1A1HTT
SCHEMBL13020021 0.74 HTT (0.78) KDRTEKLCKKDM4EALDH1A1
SCHEMBL13020113 0.72 ADK (0.47) KDRTEKLCKKDM4EALDH1A1
SCHEMBL3789169 0.72 KDM4E (0.54) KDRTEKLCKKDM4EALDH1A1
SCHEMBL13020173 0.72 KDM4E (0.63) KDRTEKLCKKDM4EALDH1A1
SCHEMBL13020138 0.71 LCK (0.61) KDRTEKLCKKDM4EALDH1A1
SCHEMBL13020030 0.71 ADK (0.52) KDRTEKLCKKDM4EALDH1A1

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 4598/4885TEK 4347/4885LCK 1980/4885

“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.