SCHEMBL4172987

SCHEMBL4172987

O=C1CCC(=O)N1Cc1cccc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 14/20 0.60
CYP3A4 P08684 14/20 0.60
CYP1A2 P05177 13/20 0.60
MAPK1 P28482 10/20 0.60
LMNA P02545 10/20 0.60
HIF1A Q16665 10/20 0.60
USP2 O75604 6/20 0.60
ALDH1A1 P00352 8/20 0.59
CYP2C19 P33261 7/20 0.59
TSHR P16473 5/20 0.59
CYP2D6 P10635 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
HSD17B10 Q99714 3/20 0.52
TP53 P04637 2/20 0.51
ALOX15 P16050 1/20 0.51
PTK2 Q05397 1/20 0.48
CSF1R P07333 2/20 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
SCHEMBL4178315 0.91 CYP3A4 (0.48) CLK4CYP3A4CYP1A2MAPK1LMNA
SCHEMBL4121396 0.77 CLK4 (0.73) CLK4CYP3A4CYP1A2MAPK1LMNA
SCHEMBL4187763 0.77 MAP4K4 (0.56) CLK4CYP3A4CYP1A2MAPK1LMNA
SCHEMBL4654402 0.77 CYP1A2 (0.54) CLK4CYP3A4CYP1A2MAPK1LMNA
SCHEMBL4654175 0.77 CD38 (0.47) CLK4CYP3A4CYP1A2MAPK1LMNA
SCHEMBL4184667 0.76 CYP1A2 (0.52) CLK4CYP3A4CYP1A2MAPK1LMNA
Hydrochloric Acid SCHEMBL4190916 0.76 CYP1A2 (0.53) CLK4CYP3A4CYP1A2MAPK1LMNA
Hydrochloric Acid SCHEMBL4184206 0.76 CD38 (0.47) CLK4CYP3A4CYP1A2MAPK1LMNA
SCHEMBL4168730 0.76 MAP4K4 (0.43) CLK4CYP3A4CYP1A2MAPK1LMNA
SCHEMBL31113923 0.75 CLK4 (0.67) CLK4CYP3A4CYP1A2MAPK1LMNA

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 6 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
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 claimed
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 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 3820/4885CYP3A4 4173/4885CYP1A2 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.