SCHEMBL6795343

SCHEMBL6795343

CC(=O)N(C)c1ccc2c(c1)c(=O)[nH]c1nnc(C3CCCC3)n12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.36
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GSK3B P49841 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CNR2 P34972 1/20 0.32
PARP1 P09874 1/20 0.32
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
PRKCA P17252 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL6796357 0.75 RXFP1 (0.42) NPSR1HSD17B10KDM4EALDH1A1GAA
SCHEMBL6795608 0.71 PDE1A (0.37) NPSR1HSD17B10ALDH1A1HPGDTSHR
SCHEMBL6850058 0.64 MALT1 (0.39) KDM4EALDH1A1PARP1NPC1RAB9A
SCHEMBL6883519 0.64 NPSR1 (0.38) NPSR1KDM4EALDH1A1GAAHPGD
SCHEMBL6854060 0.63 NPC1 (0.39) HPGDGSK3BAURKAJAK2KDR
SCHEMBL13118317 0.62 KDM4E (0.49) NPSR1HSD17B10POLBKDM4EALDH1A1
SCHEMBL17347875 0.60 ALDH1A1 (0.42) ALDH1A1HPGDTSHRCNR2NPC1
SCHEMBL12230650 0.59 ALDH1A1 (0.41) NPSR1HSD17B10POLBALDH1A1NPC1
SCHEMBL3586901 0.58 HCAR3 (0.40) PDE9AHSD17B10POLBKDM4EALDH1A1
SCHEMBL13118318 0.58 POLB (0.40) NPSR1HSD17B10POLBKDM4EALDH1A1

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-6747035-B2 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS WARNER-LAMBERT LLC 2004-06-08 US 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
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 PDE9A 16/4885NPSR1 1529/4885HSD17B10 1731/4885

“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.