SCHEMBL6068510

SCHEMBL6068510

O=C1C[N]CCN1c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 5/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ DRD2 P14416 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP11B1 P15538 4/20 0.43
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41

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
SCHEMBL1161143 0.81 MEN1 (0.50) CA1CA2CA4CA7DRD3
SCHEMBL4241682 0.80 CHKA (0.39) CYP11B2DRD2ALDH1A1HSD17B10CYP11B1
SCHEMBL22797004 0.80 CYP11B2 (0.54) CYP11B2DRD2HDAC1DRD3ALDH1A1
SCHEMBL31700253 0.77 GAA (0.58) CYP11B2DRD2HDAC1DRD3ALDH1A1
SCHEMBL306879 0.77 GAA (0.58) CYP11B2DRD2HDAC1DRD3ALDH1A1
SCHEMBL5740638 0.76 PTGS2 (0.48) CYP11B2CA1CA2CA4CA7
SCHEMBL5606442 0.75 GAA (0.53) CYP11B2DRD2HDAC1DRD3ALDH1A1
SCHEMBL31500101 0.75 GAA (0.53) CYP11B2DRD2HDAC1DRD3ALDH1A1
SCHEMBL2248234 0.74 ALDH1A1 (0.45) DRD2DRD3ALDH1A1GAAMAPT
SCHEMBL5765571 0.73 CHRNB2 (0.51) CYP11B2DRD2HDAC1DRD3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 — — US disclosed
US-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2003-07-03 — — US disclosed
EP-1242423-A1 SUBSTITUTED 1,2,3-TRIAZOLO 1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2002-09-25 — — EP disclosed
WO-2001044250-A1 SUBSTITUTED 1,2,3-TRIAZOLO[1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 — — WO 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-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition HAX1, HTR1D, CHRM1 CYP11B2 596/4885CA1 650/4885CA2 1516/4885

“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.

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