SCHEMBL3516833

SCHEMBL3516833

CCn1c(=O)n(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PDE4A P27815 2/20 0.37
ADORA2A P29274 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ADORA2B P29275 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
GRIN1 Q05586 15/20 0.35
GRIN2B Q13224 15/20 0.35

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
SCHEMBL3513272 0.88 HSD17B10 (0.50) HSD17B10HPGDHTTADORA2AADORA2B
SCHEMBL3514709 0.85 PIK3CA (0.39) HSD17B10HPGDHTTPDE4AADORA2A
SCHEMBL25316750 0.82 NPC1 (0.35) HSD17B10HPGDHTTGRIN1GRIN2B
SCHEMBL30506908 0.82 NPC1 (0.35) HSD17B10HPGDHTTGRIN1GRIN2B
SCHEMBL25253002 0.81 GRIN1 (0.57) GRIN1GRIN2B
SCHEMBL18061299 0.80 PDE4D (0.44) HPGDPDE4AADORA2APDE4BPDE4C
SCHEMBL17418949 0.77 GSK3A (0.37) GSK3AGSK3B
SCHEMBL17419062 0.72 GSK3A (0.34) GSK3AGSK3B
SCHEMBL25406772 0.72 KDM4E (0.49) HSD17B10HPGDHTTPDE4AADORA2A
SCHEMBL30349771 0.72 KDM4E (0.49) HSD17B10HPGDHTTPDE4AADORA2A

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 7 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

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 HSD17B10 2143/4885HPGD 2639/4885HTT 1605/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 HSD17B10 2143/4885HPGD 2639/4885HTT 1605/4885

“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.