SCHEMBL4177764

SCHEMBL4177764

O=C(c1c(F)c(F)c(F)c(F)c1F)N(Cc1cccc(-c2ccc3ncnc(NCCc4ccccc4)c3c2)c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.45
ALDH1A1 P00352 8/20 0.45
CYP1A2 P05177 8/20 0.45
CYP3A4 P08684 8/20 0.45
CYP2D6 P10635 8/20 0.45
HSD17B10 Q99714 8/20 0.45
CLK4 Q9HAZ1 8/20 0.45
MAPK1 P28482 7/20 0.45
USP2 O75604 7/20 0.45
CYP2C19 P33261 6/20 0.45
FYN P06241 1/20 0.45
SRC P12931 1/20 0.45
DYRK1A Q13627 1/20 0.44
CCNC P24863 1/20 0.44
CDKN1A P38936 1/20 0.44
CDK8 P49336 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
HTT P42858 2/20 0.43
EGFR P00533 1/20 0.43
APP P05067 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
SCHEMBL4178183 0.90 ALDH1A1 (0.52) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4173696 0.89 OPRM1 (0.48) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4191036 0.88 HTT (0.46) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4178265 0.88 CYP1A2 (0.49) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4172538 0.87 DYRK1A (0.45) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4177458 0.87 DYRK1A (0.48) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4181370 0.87 ALDH1A1 (0.49) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4176896 0.87 OPRM1 (0.47) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4185018 0.87 IRAK4 (0.53) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4191535 0.87 FYN (0.48) LMNAALDH1A1CYP1A2CYP3A4CYP2D6

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-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
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 disclosed
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 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 LMNA 4687/4885ALDH1A1 2269/4885CYP1A2 4353/4885

“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.