SCHEMBL6076716

SCHEMBL6076716

COc1ccc(-c2nc(Cl)c3c(n2)CCCC3)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
HSD17B10 Q99714 3/20 0.55
USP2 O75604 1/20 0.55
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
ACHE P22303 6/20 0.47
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
BCHE P06276 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL5732945 0.97 MAPK1 (0.52) MAPK1HSD17B10USP2KDM4EHPGD
SCHEMBL16179662 0.92 MAPK1 (0.47) MAPK1HSD17B10USP2KDM4EHPGD
SCHEMBL16179999 0.89 TP53 (0.47) MAPK1HSD17B10USP2KDM4EHPGD
SCHEMBL16179851 0.87 PDE4B (0.43) MAPK1HSD17B10USP2KDM4EHPGD
SCHEMBL6075610 0.83 MAPK1 (0.52) MAPK1HSD17B10USP2KDM4EHPGD
SCHEMBL6075321 0.83 HRH2 (0.55) HSD17B10KDM4EHPGDACHEBCHE
SCHEMBL5733001 0.81 HSD17B10 (0.49) MAPK1HSD17B10USP2KDM4EHPGD
SCHEMBL5733821 0.80 HRH2 (0.51) HSD17B10KDM4EHPGDACHEBCHE
SCHEMBL6076353 0.80 NPC1 (0.47) HPGDACHEBCHELMNAMAPT
SCHEMBL6076060 0.79 KDM4E (0.51) MAPK1HSD17B10USP2KDM4EHPGD

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 MAPK1 190/4885HSD17B10 3471/4885USP2 3652/4885

“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.