SCHEMBL6075799

SCHEMBL6075799

Oc1nc(-c2cc(Cl)cc(Cl)c2)nc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.40
BCHE P06276 9/20 0.40
GRIN1 Q05586 6/20 0.40
GRIN2A Q12879 6/20 0.40
TP53 P04637 1/20 0.38
CHRM1 P11229 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MDM2 Q00987 1/20 0.38
PDE4B Q07343 1/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5733680 0.97 ACHE (0.40) ACHEBCHEGRIN1GRIN2ATP53
SCHEMBL6075784 0.85 PDE4B (0.47) ACHEBCHEGRIN1GRIN2ATP53
SCHEMBL6075338 0.84 TP53 (0.49) ACHEBCHEGRIN1GRIN2ATP53
SCHEMBL6075978 0.83 ACHE (0.42) ACHEBCHEGRIN1GRIN2ATP53
SCHEMBL6077104 0.82 ACHE (0.38) ACHEBCHEGRIN1GRIN2ATP53
SCHEMBL5734396 0.82 PDE4B (0.47) ACHEBCHEGRIN1GRIN2ATP53
SCHEMBL4809314 0.81 TP53 (0.46) ACHEBCHEGRIN1GRIN2ATP53
SCHEMBL6076618 0.80 NPC1 (0.45) ACHEBCHETP53CHRM1EPHX2
SCHEMBL5734173 0.80 ACHE (0.42) ACHEBCHEGRIN1GRIN2ATP53
SCHEMBL27013361 0.77 LMNA (0.56) TP53ALDH1A1PDE4BLMNAPOLB

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 ACHE 2401/4885BCHE 3269/4885GRIN1 1125/4885

“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.