SCHEMBL4177931

SCHEMBL4177931

Ic1cccc(CN(c2nccs2)C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
CXCR3 P49682 1/20 0.34
NTRK1 P04629 1/20 0.34
IDO1 P14902 2/20 0.33
MAPK8 P45983 1/20 0.33
ADCY10 Q96PN6 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4181822 0.77 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TRPM8SIGMAR1
SCHEMBL4183914 0.74 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3SIGMAR1CXCR3
SCHEMBL3064062 0.71 TRPM8 (0.36) TRPM8TSHRSCN1ASCN2ASCN3A
SCHEMBL4169205 0.70 SIGMAR1 (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1CXCR3
SCHEMBL4184257 0.69 IRAK4 (0.56) TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL7657929 0.68 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TRPM8GRIN2B
SCHEMBL3573088 0.66 CHI3L1 (0.41) TRPM8SCN1ASCN2ASCN3A
SCHEMBL4177463 0.65 CYP1A2 (0.43) SIGMAR1CXCR3IDO1MAPK8CYP1A2
SCHEMBL12806984 0.63 NMT1 (0.43) SLC6A2SLC6A4SLC6A3TRPM8CYP2D6
SCHEMBL30514163 0.62 PDPK1 (0.44) TRPM8TSHRSCN1ASCN2ASCN3A

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 4 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
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
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
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 SLC6A2 367/4885SLC6A4 208/4885SLC6A3 173/4885

“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.