SCHEMBL4171353

SCHEMBL4171353

CC(C)Nc1ncnc2ccc(-c3cccc(CN(Cc4ccccc4)C(=O)c4ccc(Br)s4)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
CYP1A2 P05177 9/20 0.46
CYP3A4 P08684 9/20 0.46
MAPK1 P28482 9/20 0.46
CYP2D6 P10635 8/20 0.46
HSD17B10 Q99714 8/20 0.46
CLK4 Q9HAZ1 8/20 0.46
LMNA P02545 7/20 0.46
USP2 O75604 7/20 0.46
CYP2C19 P33261 7/20 0.46
PTGES O14684 2/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
CYP2C9 P11712 3/20 0.42
ALOX12 P18054 1/20 0.42
APEX1 P27695 1/20 0.42
CASP7 P55210 1/20 0.42
CD38 P28907 1/20 0.41

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
SCHEMBL4177138 0.89 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4183976 0.87 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4170570 0.86 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4176077 0.84 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4183788 0.84 CYP3A4 (0.52) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4182093 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4191425 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4175568 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4184634 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4177060 0.83 CYP1A2 (0.49) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6

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
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 ALDH1A1 2269/4885CYP1A2 4353/4885CYP3A4 4173/4885

“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.