SCHEMBL4170690

SCHEMBL4170690

CC(C)Nc1ncnc2ccc(-c3cccc(CN(Cc4ccccc4)C(=O)c4cnccn4)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.47
CYP3A4 P08684 13/20 0.47
MAPK1 P28482 11/20 0.47
ALDH1A1 P00352 11/20 0.47
CYP2C19 P33261 11/20 0.47
HSD17B10 Q99714 11/20 0.47
KDM4E B2RXH2 7/20 0.47
HPGD P15428 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
CYP2D6 P10635 11/20 0.47
CLK4 Q9HAZ1 10/20 0.47
LMNA P02545 8/20 0.47
USP2 O75604 8/20 0.47
HIF1A Q16665 7/20 0.46
CD38 P28907 1/20 0.43
PTGES O14684 1/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.43
ALOX15 P16050 2/20 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
SCHEMBL4177060 0.91 CYP1A2 (0.49) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4188181 0.88 CYP3A4 (0.53) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4183788 0.88 CYP3A4 (0.52) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4183976 0.88 ALDH1A1 (0.55) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4177465 0.87 ALDH1A1 (0.47) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4176077 0.85 ALDH1A1 (0.47) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4182093 0.84 ALDH1A1 (0.54) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4191425 0.84 ALDH1A1 (0.49) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4184634 0.84 ALDH1A1 (0.49) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19
SCHEMBL4171822 0.84 ALDH1A1 (0.53) CYP1A2CYP3A4MAPK1ALDH1A1CYP2C19

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 2 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

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 CYP1A2 4353/4885CYP3A4 4173/4885MAPK1 1852/4885

“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.