SCHEMBL4177465

SCHEMBL4177465

CC(C)Nc1ncnc2ccc(-c3cccc(CN(Cc4ccccc4)C(=O)c4cc5ccccc5cn4)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
CYP1A2 P05177 10/20 0.47
CYP3A4 P08684 10/20 0.47
MAPK1 P28482 9/20 0.47
CYP2D6 P10635 9/20 0.47
HSD17B10 Q99714 9/20 0.47
LMNA P02545 9/20 0.47
CYP2C19 P33261 8/20 0.47
USP2 O75604 8/20 0.47
CLK4 Q9HAZ1 8/20 0.47
PTGES O14684 1/20 0.43
HIF1A Q16665 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C9 P11712 3/20 0.42
TSHR P16473 3/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL4183976 0.88 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4177060 0.87 CYP1A2 (0.49) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4176077 0.87 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4170690 0.87 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4183788 0.84 CYP3A4 (0.52) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4182093 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4191428 0.84 CYP3A4 (0.52) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4184634 0.84 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4171822 0.84 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL4184292 0.84 ALDH1A1 (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 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 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.