SCHEMBL3513830

SCHEMBL3513830

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N(C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.41
DGAT1 O75907 2/20 0.39
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PDGFRB P09619 3/20 0.36
KDR P35968 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
USP30 Q70CQ3 2/20 0.31
ROCK2 O75116 1/20 0.31
FFAR1 O14842 1/20 0.30
HIF1A Q16665 1/20 0.30
SNCA P37840 1/20 0.30

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
SCHEMBL3516566 0.88 GSK3A (0.40) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL24576804 0.79 ALPL (0.47) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL17419148 0.78 ALPL (0.45) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL798868 0.77 ALPL (0.45) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL20472729 0.76 ALPL (0.44) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL3513930 0.76 ALPL (0.44) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL789862 0.75 ALPL (0.46) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL29604061 0.75 ALPL (0.46) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL3668559 0.74 ALPL (0.46) ALPLDGAT1GSK3AGSK3BPDGFRB
SCHEMBL29504617 0.74 ALPL (0.46) ALPLDGAT1GSK3AGSK3BPDGFRB

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 8 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-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 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
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO 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 ALPL 2385/4885DGAT1 989/4885GSK3A 700/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 ALPL 2385/4885DGAT1 989/4885GSK3A 700/4885

“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.