Sugi Predict

Sugi Predict / Compounds / SCHEMBL3514709

SCHEMBL3514709

SCHEMBL3514709

COCCn1c(=O)n(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ GRIN1 Q05586 5/20 0.37
▸ GRIN2B Q13224 5/20 0.37
▸ PARG Q86W56 2/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ADORA2B P29275 3/20 0.35
▸ PDE4B Q07343 3/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ USP2 O75604 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL3516833 0.85 HSD17B10 (0.38) GRIN1GRIN2BHSD17B10HPGDHTT
SCHEMBL3513272 0.84 HSD17B10 (0.50) ALDH1A1GRIN1GRIN2BHSD17B10HPGD
SCHEMBL25316750 0.82 NPC1 (0.35) GRIN1GRIN2BHSD17B10HPGDHTT
SCHEMBL30506908 0.82 NPC1 (0.35) GRIN1GRIN2BHSD17B10HPGDHTT
SCHEMBL25253002 0.77 GRIN1 (0.57) GRIN1GRIN2BPARG
SCHEMBL24381847 0.75 ATM (0.51) PIK3CAMTOR
SCHEMBL15328715 0.74 AAK1 (0.35) DGAT1
SCHEMBL18061299 0.74 PDE4D (0.44) ALDH1A1HPGDADORA2BPDE4BPDE4A
SCHEMBL23664226 0.73 IDH1 (0.35) ALDH1A1DGAT1CYP3A4MAPK1
SCHEMBL22655368 0.70 BMPR1B (0.35) PIK3CAALDH1A1DGAT1MTOR

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 PIK3CA 125/4885PRKDC 189/4885ALDH1A1 2405/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PIK3CA 125/4885PRKDC 189/4885ALDH1A1 2405/4885

“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.