Sugi Predict

Sugi Predict / Compounds / SCHEMBL4183693

SCHEMBL4183693

SCHEMBL4183693

Cc1cccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)CCc5ccccc5)C5CC5)c4)cc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 14/20 0.60
▸ CYP1A2 P05177 10/20 0.57
▸ KDM4E B2RXH2 9/20 0.57
▸ HPGD P15428 9/20 0.57
▸ ALDH1A1 P00352 9/20 0.57
▸ CYP3A4 P08684 9/20 0.57
▸ LMNA P02545 8/20 0.57
▸ MAPK1 P28482 8/20 0.57
▸ USP2 O75604 8/20 0.57
▸ CYP2D6 P10635 8/20 0.57
▸ CYP2C19 P33261 7/20 0.57
▸ CYP2C9 P11712 7/20 0.57
▸ HSD17B10 Q99714 7/20 0.57
▸ ALOX12 P18054 2/20 0.57
▸ TSHR P16473 7/20 0.54
▸ MAPT P10636 4/20 0.54
▸ HIF1A Q16665 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54

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
SCHEMBL4183776 0.92 CLK4 (0.62) CLK4CYP1A2KDM4EHPGDALDH1A1
SCHEMBL4181833 0.91 CLK4 (0.60) CLK4CYP1A2KDM4EHPGDALDH1A1
SCHEMBL4185014 0.89 CYP1A2 (0.66) CLK4CYP1A2KDM4EHPGDALDH1A1
SCHEMBL4181486 0.89 CLK4 (0.62) CLK4CYP1A2KDM4EHPGDALDH1A1
SCHEMBL4182131 0.89 CLK4 (0.62) CLK4CYP1A2KDM4EHPGDALDH1A1
SCHEMBL4181278 0.89 CLK4 (0.66) CLK4CYP1A2KDM4EHPGDALDH1A1
SCHEMBL4185510 0.89 FYN (0.48) CLK4CYP1A2KDM4EHPGDALDH1A1
SCHEMBL4177452 0.86 CLK4 (0.63) CLK4CYP1A2KDM4EHPGDALDH1A1
SCHEMBL4180814 0.85 IRAK4 (0.58) CLK4CYP1A2KDM4EALDH1A1CYP3A4
SCHEMBL4173682 0.85 CYP1A2 (0.61) CLK4CYP1A2KDM4EHPGDALDH1A1

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 CLK4 3820/4885CYP1A2 4353/4885KDM4E 2026/4885

“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.