Sugi Predict

Sugi Predict / Compounds / SCHEMBL4176526

SCHEMBL4176526

SCHEMBL4176526

CC(C)Nc1ncnc2ccc(-c3cccc(CN(Cc4ccccc4)C(=O)c4ccc(C#N)cc4)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 12/20 0.51
▸ ALDH1A1 P00352 11/20 0.51
▸ CYP3A4 P08684 11/20 0.51
▸ HSD17B10 Q99714 11/20 0.51
▸ MAPK1 P28482 9/20 0.51
▸ CYP2D6 P10635 9/20 0.51
▸ LMNA P02545 8/20 0.51
▸ USP2 O75604 8/20 0.51
▸ CYP2C19 P33261 8/20 0.51
▸ CLK4 Q9HAZ1 7/20 0.51
▸ CYP2C9 P11712 5/20 0.51
▸ TSHR P16473 5/20 0.51
▸ HIF1A Q16665 4/20 0.51
▸ TP53 P04637 3/20 0.51
▸ RECQL P46063 2/20 0.51
▸ CDK1 P06493 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4188498 0.94 CYP1A2 (0.54) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4183976 0.91 ALDH1A1 (0.55) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4182093 0.90 ALDH1A1 (0.54) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4171822 0.89 ALDH1A1 (0.53) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4183788 0.88 CYP3A4 (0.52) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4191428 0.87 CYP3A4 (0.52) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4178574 0.86 ALDH1A1 (0.50) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4191425 0.86 ALDH1A1 (0.49) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4182616 0.85 ALDH1A1 (0.47) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4177316 0.85 ALDH1A1 (0.49) CYP1A2ALDH1A1CYP3A4HSD17B10MAPK1

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
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

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 4353/4885ALDH1A1 2269/4885CYP3A4 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.