SCHEMBL3516528

SCHEMBL3516528

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
HIF1A Q16665 5/20 0.41
DGAT1 O75907 1/20 0.41
PDGFRB P09619 4/20 0.40
KDR P35968 4/20 0.40
AAK1 Q2M2I8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ALPL P05186 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP4K2 Q12851 1/20 0.36
PKN2 Q16513 1/20 0.36
PRKD2 Q9BZL6 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
SCHEMBL3513930 0.88 ALPL (0.44) GSK3AGSK3BHIF1ADGAT1PDGFRB
SCHEMBL2067019 0.80 GSK3A (0.43) GSK3AGSK3BHIF1ADGAT1PDGFRB
SCHEMBL3450362 0.79 GSK3A (0.42) GSK3AGSK3BHIF1ADGAT1PDGFRB
SCHEMBL16929664 0.78 ALPL (0.44) GSK3AGSK3BHIF1ADGAT1PDGFRB
SCHEMBL3516566 0.77 GSK3A (0.40) GSK3AGSK3BHIF1ADGAT1PDGFRB
SCHEMBL29182755 0.77 ALDH1A1 (0.47) HIF1AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3412433 0.76 GSK3A (0.41) GSK3AGSK3BHIF1ADGAT1PDGFRB
SCHEMBL15648486 0.76 ALPL (0.42) GSK3AGSK3BHIF1ADGAT1ALDH1A1
SCHEMBL789981 0.75 ALPL (0.48) PDGFRBKDRALDH1A1ALPLMEN1
SCHEMBL6934738 0.75 AAK1 (0.50) GSK3AGSK3BDGAT1PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 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 (2 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-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 GSK3A 700/4885GSK3B 1371/4885HIF1A 1709/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 GSK3A 700/4885GSK3B 1371/4885HIF1A 1709/4885

“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.