SCHEMBL6795608

SCHEMBL6795608

CC(=O)N(C)c1ccc2c(c1)c(=O)n(Cc1ccc(C#N)cc1)c1nnc(C3CCCC3)n21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.37
CYP19A1 P11511 1/20 0.37
ITK Q08881 12/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHEK2 O96017 3/20 0.36
PRKCG P05129 3/20 0.36
CSNK1D P48730 3/20 0.36
RPS6KA3 P51812 3/20 0.36
DYRK1A Q13627 3/20 0.36
AURKB Q96GD4 3/20 0.36
IRAK4 Q9NWZ3 3/20 0.36
MAP4K4 O95819 2/20 0.36
PHKG2 P15735 2/20 0.36
MARK3 P27448 2/20 0.36
CSNK1A1 P48729 2/20 0.36
CLK2 P49760 2/20 0.36

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 0.89 RXFP1 (0.42) ALDH1A1HPGDTSHRNPSR1HSD17B10
SCHEMBL6796389 0.82 PDE1A (0.40) PDE1ACYP19A1ALDH1A1HPGDTSHR
SCHEMBL6797644 0.81 RXFP1 (0.42) ITKALDH1A1HPGDTSHRNPSR1
SCHEMBL6855622 0.75 MAPT (0.42) ALDH1A1PLK1
SCHEMBL6795111 0.73 NPC1 (0.54) HPGDTSHRHSD17B10PLK1
SCHEMBL6795642 0.72 L3MBTL1 (0.40) ALDH1A1HPGDTSHRNPSR1HSD17B10
SCHEMBL6854257 0.72 MAPT (0.46) CYP19A1ALDH1A1PLK1
SCHEMBL6795343 0.71 PDE9A (0.36) ALDH1A1HPGDTSHRNPSR1HSD17B10
SCHEMBL6854427 0.71 PIK3R1 (0.48) ALDH1A1SRCPLK1CNR2
SCHEMBL6858338 0.71 MAPT (0.39) ALDH1A1HPGDHSD17B10PLK1

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 PDE1A 20/4885CYP19A1 588/4885ITK 3428/4885

“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.