SCHEMBL4182640

SCHEMBL4182640

O=C(c1ccc(C(F)(F)F)cc1F)N(Cc1cccc(-c2ccc3ncnc(NCCc4ccccc4)c3c2)c1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 11/20 0.44
AURKA O14965 2/20 0.42
NTRK1 P04629 1/20 0.42
CCR2 P41597 3/20 0.41
KCNH2 Q12809 3/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
LMNA P02545 2/20 0.41
FYN P06241 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DYRK1A Q13627 1/20 0.41
TSHR P16473 1/20 0.40
CCNC P24863 2/20 0.40

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
SCHEMBL4191036 0.92 HTT (0.46) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4173270 0.89 AURKA (0.46) CCRL2AURKANTRK1CCR2KCNH2
SCHEMBL4184728 0.88 CYP1A2 (0.47) CCRL2USP2CYP1A2CYP3A4CYP2D6
SCHEMBL4180125 0.88 IRAK4 (0.51) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4183950 0.87 LMNA (0.54) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4177764 0.86 LMNA (0.45) AURKAUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL4178183 0.85 ALDH1A1 (0.52) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4173696 0.84 OPRM1 (0.48) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4178265 0.83 CYP1A2 (0.49) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4172538 0.83 DYRK1A (0.45) USP2CYP1A2CYP3A4CYP2D6CYP2C19

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 CCRL2 2895/4885AURKA 3858/4885NTRK1 501/4885

“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.