SCHEMBL6075852

SCHEMBL6075852

COc1ccc(-c2nc(O)c3c(n2)CCCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
DCTPP1 Q9H773 1/20 0.44
ACHE P22303 6/20 0.44
BCHE P06276 5/20 0.44
CHRM1 P11229 1/20 0.44
PTGS2 P35354 1/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5735126 0.97 HRH2 (0.51) HRH2HRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL6075839 0.83 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1TP53ACHE
SCHEMBL6075610 0.83 MAPK1 (0.52) SMN1; SMN2KDM4EALDH1A1TP53GAA
SCHEMBL6075321 0.82 HRH2 (0.55) HRH2HRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL5734981 0.80 ALDH1A1 (0.42) SMN1; SMN2KDM4EALDH1A1TP53GAA
SCHEMBL6075338 0.80 TP53 (0.49) SMN1; SMN2ALDH1A1TP53ACHEBCHE
SCHEMBL5733001 0.80 HSD17B10 (0.49) SMN1; SMN2KDM4EALDH1A1GAAACHE
SCHEMBL16179431 0.79 HRH2 (0.58) HRH2HRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL5733821 0.79 HRH2 (0.51) HRH2HRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4809314 0.77 TP53 (0.46) SMN1; SMN2KDM4EALDH1A1TP53ACHE

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-7045526-B2 Substituted 4-amino-2-aryl-tetrahydroquinazolines, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-05-16 US disclosed
US-20040063690-A1 Substituted 4-amino-2-aryl-tetrahydroquinazolines, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2004-04-01 US disclosed
US-6660746-B1 Cardiovascular disorders AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-09 US disclosed
EP-1150963-B1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-12-03 EP disclosed
EP-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 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-20040063690-A1 Substituted 4-amino-2-aryl-tetrahydroquinazolines, their preparation, their use and pharmaceutical preparations comprising them PDE3A, PDE2A, PDE3B HRH2 236/4885HRH3 1886/4885SMN1; SMN2 3405/4885

“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.