SCHEMBL4179883

SCHEMBL4179883

N#CCC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1F)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.54
CYP2D6 P10635 6/20 0.54
CYP3A4 P08684 6/20 0.54
CYP2C19 P33261 6/20 0.54
USP2 O75604 5/20 0.54
CLK4 Q9HAZ1 5/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 1/20 0.54
IRAK4 Q9NWZ3 12/20 0.51
TSHR P16473 4/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4184932 0.88 CYP2D6 (0.60) CYP1A2CYP2D6CYP3A4CYP2C19USP2
SCHEMBL4177368 0.88 IRAK4 (0.52) CYP1A2CYP2D6CYP3A4CYP2C19USP2
Hydrochloric Acid SCHEMBL4167163 0.87 IRAK4 (0.51) CYP1A2CYP2D6CYP3A4CYP2C19USP2
SCHEMBL4180240 0.85 IRAK4 (0.51) CYP1A2CYP2D6CYP3A4CYP2C19USP2
SCHEMBL4182559 0.84 IRAK4 (0.56) CYP1A2CYP2D6CYP3A4CYP2C19USP2
SCHEMBL4178137 0.84 IRAK4 (0.46) CYP1A2CYP2D6CYP3A4CYP2C19USP2
SCHEMBL4170400 0.82 IRAK4 (0.58) CYP1A2CYP2D6CYP3A4CYP2C19USP2
SCHEMBL4176532 0.81 IRAK4 (0.44) CYP1A2CYP2D6CYP3A4CYP2C19USP2
SCHEMBL4176397 0.78 CYP2D6 (0.61) CYP1A2CYP2D6CYP3A4CYP2C19USP2
SCHEMBL4167241 0.76 IRAK4 (0.54) CYP1A2CYP3A4USP2CLK4LMNA

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 4353/4885CYP2D6 4096/4885CYP3A4 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.