SCHEMBL6799696

SCHEMBL6799696

CC(=O)Nc1ccc2nc(NN)n(Cc3ccccc3)c(=O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
POLB P06746 1/20 0.63
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.57
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
DHFR P00374 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGES O14684 2/20 0.50

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
SCHEMBL8515506 0.90 RAB9A (0.62) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL6857070 0.80 POLB (0.74) RAB9APOLBSMN1; SMN2MAPTKDM4E
SCHEMBL6797484 0.79 POLB (0.72) RAB9APOLBSMN1; SMN2LMNAGAA
SCHEMBL10920778 0.78 POLB (1.00) RAB9APOLBSMN1; SMN2LMNAGAA
SCHEMBL6855545 0.73 TP53 (0.57) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL4729244 0.73 NPSR1 (0.76) POLBNPC1SMN1; SMN2LMNAMAPT
SCHEMBL6856148 0.72 PLK1 (0.52) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL6791736 0.72 TP53 (0.60) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL1031735 0.71 TSHR (0.53) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL6856455 0.71 TP53 (0.57) RAB9ANPC1SMN1; SMN2LMNAGAA

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 6 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
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
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 RAB9A 2106/4885POLB 739/4885NPC1 2456/4885

“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.