SCHEMBL4173347

SCHEMBL4173347

Brc1csc(CNC2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
ROCK2 O75116 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.32
GBA1 P04062 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CNR1 P21554 1/20 0.32
TBXA2R P21731 1/20 0.32
HRH2 P25021 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15105014 0.93 ALDH1A1 (0.35) PDE10AROCK2FPR3FPR2DRD2
SCHEMBL15104705 0.89 MAP4K4 (0.34) PDE10AROCK2FPR3FPR2
SCHEMBL3506829 0.79 PDE10A (0.51) PDE10ARAB9ATSHR
SCHEMBL2724855 0.73
SCHEMBL18901153 0.73
SCHEMBL6467142 0.72 PDE10A (0.49) PDE10ALMNAKCNH2RAB9AKMT2A
SCHEMBL10290992 0.72 PDE10A (0.49) PDE10AKCNH2RAB9ATSHRHRH3
SCHEMBL17788635 0.70 ALDH1A1 (0.34) ROCK2FPR3FPR2
SCHEMBL708465 0.68 NPC1 (0.45) LMNAMEN1RAB9AKMT2A
SCHEMBL19259693 0.68 ROCK2 (0.41) ROCK2FPR3FPR2LMNACYP1A2

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 3 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 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 PDE10A 1773/4885ROCK2 3986/4885FPR3 775/4885

“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.