SCHEMBL4180714

SCHEMBL4180714

O=C1CCC(=O)N1Cc1cccc(-c2ccc3nc(Cc4ccccc4)nc(NC4CC4)c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.44
AVPR1B P47901 4/20 0.42
CHRM3 P20309 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
NPR1 P16066 4/20 0.41
NSD2 O96028 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
NTSR1 P30989 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAP4K4 O95819 2/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL4182349 0.89 LMNA (0.53) EGLN1AVPR1BNPR1LMNAMAPT
SCHEMBL4168721 0.87 NPR1 (0.48) EGLN1AVPR1BNPR1
SCHEMBL4184720 0.87 NSD2 (0.49) NPR1NSD2
SCHEMBL4186187 0.87 NPR1 (0.45) EGLN1AVPR1BNPR1LMNAMAP4K4
SCHEMBL4184096 0.87 NSD2 (0.46) EGLN1AVPR1BNPR1NSD2LMNA
SCHEMBL4178085 0.86 APP (0.47) EGLN1AVPR1BNPR1
SCHEMBL4184947 0.85 PDE5A (0.47) EGLN1AVPR1BNPR1LMNAUSP2
SCHEMBL4173222 0.84 NSD2 (0.49) EGLN1AVPR1BNPR1NSD2LMNA
SCHEMBL4188225 0.84 TLR7 (0.50) EGLN1AVPR1BNPR1LMNAUSP2
SCHEMBL4177505 0.84 NPR1 (0.44) EGLN1AVPR1BNPR1LMNAMAP4K4

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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US claimed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP claimed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 WO claimed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 EGLN1 1486/4885AVPR1B 564/4885CHRM3 418/4885

“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.