SCHEMBL6471191

SCHEMBL6471191

CC(=O)Nc1ncnc2[nH]ncc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.62
ALDH1A1 P00352 1/20 0.54
FLT3 P36888 5/20 0.52
CYP1A2 P05177 2/20 0.51
MAPK1 P28482 2/20 0.50
HPGDS O60760 1/20 0.50
RET P07949 1/20 0.49
PI4KA P42356 1/20 0.49
XDH P47989 1/20 0.49
LRRK2 Q5S007 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
MKNK1 Q9BUB5 2/20 0.48
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
CCNA1 P78396 1/20 0.48
CHEK1 O14757 1/20 0.47

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
SCHEMBL14559577 0.80 ALDH1A1 (0.55) PDPK1ALDH1A1FLT3CYP1A2MAPK1
SCHEMBL2343403 0.77 MAPK1 (0.58) PDPK1FLT3MAPK1MKNK1TTBK1
SCHEMBL10094590 0.77 PDPK1 (1.00) PDPK1ALDH1A1CYP1A2MAPK1HPGDS
SCHEMBL4693022 0.76 FLT3 (0.66) FLT3MAPK1MKNK1TTBK1LMNA
SCHEMBL4691855 0.74 MKNK1 (0.67) FLT3MAPK1MKNK1CCNT1CCNA2
SCHEMBL3260279 0.74 MAPK1 (0.51) PDPK1ALDH1A1FLT3CYP1A2MAPK1
SCHEMBL14036104 0.74 PDPK1 (0.73) PDPK1ALDH1A1CYP1A2MAPK1HPGDS
SCHEMBL14559625 0.73 CYP1A2 (0.51) PDPK1ALDH1A1FLT3CYP1A2MAPK1
SCHEMBL14827602 0.72 PDPK1 (0.66) PDPK1ALDH1A1CYP1A2MAPK1HPGDS
SCHEMBL10094121 0.72 PDPK1 (0.66) PDPK1ALDH1A1CYP1A2MAPK1HPGDS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203063-A1 Proteasome pathway inhibitors and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-09-15 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-20050203063-A1 Proteasome pathway inhibitors and related methods PSME1, PSMC5, PSMB1 PDPK1 543/4885ALDH1A1 3815/4885FLT3 3376/4885

“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.