SCHEMBL4164571

SCHEMBL4164571

O=C(NC1CCCCCC1)c1ccnc2[nH]c(-c3ccc(NC4CCNCC4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 9/20 0.47
DHODH Q02127 1/20 0.44
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.39
CD38 P28907 2/20 0.38
STK17A Q9UEE5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PRKD1 Q15139 1/20 0.38
PARP1 P09874 1/20 0.38
MAPKAPK2 P49137 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
SCHEMBL4153562 1.00 PBK (0.47) PBKDHODHAURKBAURKACD38
SCHEMBL4160366 0.85 DHODH (0.48) PBKDHODHPARP1
SCHEMBL4153576 0.85 DHODH (0.43) PBKDHODH
SCHEMBL4152141 0.84 NPC1 (0.48) PBK
SCHEMBL4152581 0.84 NPC1 (0.48) PBK
SCHEMBL4152149 0.84 PBK (0.54) PBKKDM4EALDH1A1GAA
SCHEMBL4153579 0.83 PBK (0.42) PBKDHODHCD38
SCHEMBL4167109 0.83 PBK (0.42) PBKDHODHCD38
SCHEMBL4160333 0.83 PBK (0.47) PBKALDH1A1
SCHEMBL4144891 0.80 RAD52 (0.42) PBKCD38KDM4EALDH1A1GAA

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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 PBK 999/4885DHODH 3332/4885AURKB 54/4885

“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.