SCHEMBL4178769

SCHEMBL4178769

c1cc(CN2CCOCC2)cc(-c2ccc3ncnc(NC4CC4)c3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 17/20 0.65
MAP4K4 O95819 1/20 0.59
CSF1R P07333 1/20 0.59
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56

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
SCHEMBL4183770 0.91 MAP4K4 (0.62) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4167322 0.90 MAP4K4 (0.61) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4185474 0.88 MAP4K4 (0.62) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4185148 0.88 MAP4K4 (0.65) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4174267 0.83 MAP4K4 (0.64) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4180117 0.82 MAP4K4 (0.57) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4183733 0.81 MAP4K4 (0.60) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4180220 0.81 MAP4K4 (0.60) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4188018 0.81 MAP4K4 (0.69) IRAK4MAP4K4USP2ALDH1A1LMNA
SCHEMBL4173751 0.80 MAP4K4 (0.67) IRAK4MAP4K4USP2ALDH1A1LMNA

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 1 patent. 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 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 IRAK4 864/4885MAP4K4 1662/4885CSF1R 606/4885

“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.