Sugi Predict

Sugi Predict / Compounds / SCHEMBL6795642

SCHEMBL6795642

SCHEMBL6795642

O=CN(c1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(C3CCCC3)n21)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ PLK1 P53350 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADORA1 P30542 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6797499 0.89 ALDH1A1 (0.44) L3MBTL1ALDH1A1KDM4EHTTRXFP1
SCHEMBL6796357 0.82 RXFP1 (0.42) L3MBTL1ALDH1A1KDM4EHTTRXFP1
SCHEMBL6796438 0.81 PLK1 (0.48) L3MBTL1ALDH1A1KDM4EHTTRXFP1
SCHEMBL6797644 0.81 RXFP1 (0.42) L3MBTL1ALDH1A1KDM4EHTTRXFP1
SCHEMBL6802244 0.79 NPC1 (0.46) L3MBTL1ALDH1A1KDM4EHTTRXFP1
SCHEMBL7045495 0.78 L3MBTL1 (0.39) L3MBTL1ALDH1A1KDM4EHTTRXFP1
SCHEMBL6795111 0.76 NPC1 (0.54) KDM4EHTTRXFP1PLK1MAPT
SCHEMBL6795645 0.75 NPC1 (0.61) L3MBTL1ALDH1A1KDM4EHTTRXFP1
SCHEMBL6795608 0.72 PDE1A (0.37) ALDH1A1PLK1HPGDTSHRNPSR1
SCHEMBL6854099 0.69 PLK1 (0.48) L3MBTL1ALDH1A1KDM4EHTTRXFP1

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-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors GUADILLIERE BERNARD (FR) 2003-04-10 — — US claimed
EP-1285922-A1 1-Alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2003-02-26 — — EP claimed
US-6747035-B2 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS WARNER-LAMBERT LLC 2004-06-08 — — US disclosed
EP-1419159-A1 1-ALKYL 0R 1-CYCLOALKYLTRIAZOLO 4,3-A]QUINAZOLIN-5-ONES AS PHOSPHODIESTERASE INHIBITORS Warner-Lambert Company LLC (US) 2004-05-19 — — EP disclosed
US-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors GUADILLIERE BERNARD (FR) 2003-04-10 — — US disclosed
WO-2003016314-A1 1-ALKYL 0R 1-CYCLOALKYLTRIAZOLO[4,3-A]QUINAZOLIN-5-ONES AS PHOSPHODIESTERASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-02-27 — — WO disclosed
EP-1285922-A1 1-Alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2003-02-26 — — EP 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-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors PDE3A, PDE4A, PDE5A L3MBTL1 4265/4885ALDH1A1 329/4885KDM4E 1483/4885

“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.