SCHEMBL2269435

SCHEMBL2269435

CCOC(=O)c1csc(-c2cnn(Cc3ccc(OC)cc3)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 3/20 0.51
HSP90AA1 P07900 1/20 0.51
GAA P10253 2/20 0.50
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TLR7 Q9NYK1 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
CLK1 P49759 1/20 0.43
PTPN11 Q06124 1/20 0.43
IDO1 P14902 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL2275052 0.88 ALDH1A1 (0.47) RAB9AMAPTNPC1POLBTLR7
SCHEMBL31708330 0.87 TLR7 (0.46) RAB9AMAPTNPC1GAAPOLB
SCHEMBL201788 0.84 RAB9A (0.67) RAB9AMAPTNPC1HSP90AA1GAA
Formic Acid SCHEMBL31708331 0.83 TLR7 (0.43) RAB9AMAPTNPC1POLBTLR7
SCHEMBL2280071 0.81 L3MBTL1 (0.48) RAB9ANPC1TLR7ALDH1A1ADORA2A
SCHEMBL2277599 0.79 CDC25A (0.45) RAB9AMAPTNPC1POLBALDH1A1
SCHEMBL369369 0.77 L3MBTL1 (0.54) RAB9AMAPTNPC1GAAPOLB
SCHEMBL15750632 0.77 MAPT (0.52) RAB9AMAPTNPC1HSP90AA1GAA
SCHEMBL27108838 0.75 RAB9A (0.72) RAB9AMAPTNPC1HSP90AA1GAA
SCHEMBL2282154 0.75 HDAC3 (0.44) ALDH1A1ADORA2AADORA2BADORA1L3MBTL1

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-8604033-B2 Preparation of 4-amino-thiazoles and 3-amino-1,2,4-thiadiazoles and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-12-10 US disclosed
US-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2012-12-13 US disclosed
EP-2523953-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-11-21 EP disclosed
WO-2011086163-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-07-21 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-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM2 RAB9A 2871/4885MAPT 1176/4885NPC1 2273/4885

“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.