SCHEMBL4188225

SCHEMBL4188225

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.50
CCNE2 O96020 7/20 0.44
CCNE1 P24864 7/20 0.44
CDK2 P24941 7/20 0.44
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
NPR1 P16066 6/20 0.44
EGLN1 Q9GZT9 1/20 0.41
AVPR1B P47901 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 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
SCHEMBL4177505 0.91 NPR1 (0.44) NPR1EGLN1AVPR1BUSP2LMNA
SCHEMBL4168721 0.87 NPR1 (0.48) NPR1EGLN1AVPR1B
SCHEMBL4184720 0.86 NSD2 (0.49) NPR1
SCHEMBL4182349 0.86 LMNA (0.53) NPR1EGLN1AVPR1BUSP2LMNA
SCHEMBL4184096 0.86 NSD2 (0.46) NPR1EGLN1AVPR1BUSP2LMNA
SCHEMBL4186187 0.86 NPR1 (0.45) NPR1EGLN1AVPR1BUSP2LMNA
SCHEMBL4180714 0.84 EGLN1 (0.44) NPR1EGLN1AVPR1BUSP2LMNA
SCHEMBL4173222 0.83 NSD2 (0.49) NPR1EGLN1AVPR1BUSP2LMNA
SCHEMBL4178085 0.83 APP (0.47) NPR1EGLN1AVPR1B
SCHEMBL4184947 0.83 PDE5A (0.47) NPR1EGLN1AVPR1BUSP2LMNA

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 TLR7 496/4885CCNE2 4608/4885CCNE1 4735/4885

“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.