SCHEMBL4168730

SCHEMBL4168730

O=C1CCC(=O)N1Cc1cccc(-c2ccc3ncnc(N(C4CC4)C4CC4)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.43
CLK4 Q9HAZ1 10/20 0.41
CYP1A2 P05177 7/20 0.41
CYP3A4 P08684 7/20 0.41
LMNA P02545 6/20 0.41
MAPK1 P28482 6/20 0.41
ALDH1A1 P00352 4/20 0.41
USP2 O75604 4/20 0.41
TSHR P16473 3/20 0.41
CYP2D6 P10635 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP2C19 P33261 3/20 0.39
GLA P06280 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL4177706 0.91 MAP4K4 (0.46) MAP4K4CLK4CYP1A2CYP3A4LMNA
SCHEMBL4654402 0.87 CYP1A2 (0.54) MAP4K4CLK4CYP1A2CYP3A4LMNA
Hydrochloric Acid SCHEMBL4190916 0.86 CYP1A2 (0.53) MAP4K4CLK4CYP1A2CYP3A4LMNA
SCHEMBL4183733 0.80 MAP4K4 (0.60) MAP4K4CLK4CYP1A2CYP3A4LMNA
SCHEMBL4187763 0.79 MAP4K4 (0.56) MAP4K4CLK4CYP1A2CYP3A4LMNA
Hydrochloric Acid SCHEMBL4174439 0.78 MAP4K4 (0.60) MAP4K4CLK4CYP1A2CYP3A4LMNA
Hydrochloric Acid SCHEMBL4182954 0.78 MAP4K4 (0.58) MAP4K4CLK4CYP1A2CYP3A4LMNA
SCHEMBL4178315 0.78 CYP3A4 (0.48) MAP4K4CLK4CYP1A2CYP3A4LMNA
SCHEMBL4176710 0.77 MAP4K4 (0.58) MAP4K4CLK4CYP1A2CYP3A4LMNA
SCHEMBL4190661 0.76 CLK4 (0.60) CLK4CYP1A2CYP3A4LMNAMAPK1

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 MAP4K4 1662/4885CLK4 3820/4885CYP1A2 4353/4885

“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.