SCHEMBL4180817

SCHEMBL4180817

CCC(=O)N(Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.50
CYP3A4 P08684 7/20 0.50
USP2 O75604 6/20 0.50
CLK4 Q9HAZ1 6/20 0.50
CYP2C19 P33261 5/20 0.49
MAPK1 P28482 4/20 0.49
LMNA P02545 4/20 0.49
CYP2D6 P10635 4/20 0.49
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 2/20 0.49
MAP4K4 O95819 2/20 0.49
TSHR P16473 2/20 0.49
IRAK4 Q9NWZ3 8/20 0.49
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PIK3CD O00329 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CD38 P28907 1/20 0.45
HPGD P15428 1/20 0.45

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
Hydrochloric Acid SCHEMBL4168830 0.85 IRAK4 (0.56) CYP1A2CYP3A4USP2CLK4CYP2C19
SCHEMBL4180812 0.82 CYP1A2 (0.54) CYP1A2CYP3A4USP2CLK4CYP2C19
SCHEMBL4171855 0.81 IRAK4 (0.53) CYP1A2CYP3A4USP2CLK4CYP2C19
SCHEMBL4185275 0.80 CYP1A2 (0.59) CYP1A2CYP3A4USP2CLK4CYP2C19
SCHEMBL4654261 0.79 IRAK4 (0.58) CYP1A2CYP3A4USP2CLK4CYP2C19
SCHEMBL4188262 0.79 CYP1A2 (0.59) CYP1A2CYP3A4USP2CLK4CYP2C19
SCHEMBL4177504 0.79 IRAK4 (0.60) CYP1A2CYP3A4USP2CLK4CYP2C19
SCHEMBL4177899 0.79 CYP1A2 (0.61) CYP1A2CYP3A4USP2CLK4CYP2C19
SCHEMBL4184414 0.79 IRAK4 (0.57) CYP1A2CYP3A4USP2CLK4CYP2C19
Hydrochloric Acid SCHEMBL4184316 0.79 IRAK4 (0.57) CYP1A2CYP3A4USP2CLK4CYP2C19

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 4353/4885CYP3A4 4173/4885USP2 2425/4885

“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.