SCHEMBL1996494

SCHEMBL1996494

CC(=O)c1nnn(-c2cccc(C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RXRA P19793 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RPA1 P27694 1/20 0.41
ADORA2A P29274 1/20 0.41
ESRRA P11474 1/20 0.40
NPY5R Q15761 1/20 0.40
NOTUM Q6P988 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL4189968 0.88 MEN1 (0.48) GRM5GAAMEN1KMT2ATP53
SCHEMBL2962451 0.85 PKM (0.51) GRM5GAAMEN1KMT2ALMNA
SCHEMBL8046082 0.84 GAA (0.42) GRM5GAAMEN1KMT2ATP53
SCHEMBL1999421 0.82 SMN1; SMN2 (0.48) GAATP53MAPTALDH1A1L3MBTL1
SCHEMBL2889329 0.75 GRM5 (0.45) GRM5GAAMEN1KMT2ATP53
SCHEMBL1999127 0.74 GRM5 (0.50) GRM5GAAMEN1KMT2ATP53
SCHEMBL1999129 0.74 GRM5 (0.50) GRM5GAAMEN1KMT2ATP53
SCHEMBL2896761 0.74 GRM5 (0.44) GRM5GAAMEN1KMT2ATP53
SCHEMBL14701733 0.73 PTGS2 (0.49) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL23385108 0.73 RPA1 (0.44) MEN1KMT2ATP53RXRAGRIN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 US claimed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US claimed
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 WO claimed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US claimed
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2379531-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY]-4H- [1,2, 4]TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL]ETHANOL AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 WO disclosed
EP-2231647-A1 TETRAZOLE DERIVATES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) AstraZeneca AB (SE) 2010-09-29 EP disclosed
WO-2010071559-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY] -4H- [1,2, 4] TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL] ETHANOL ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
WO-2010071559-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY] -4H- [1,2, 4] TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL] ETHANOL ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 WO disclosed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 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 (3 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-20090131454-A1 New compounds 067 UGT2B7, UGT1A7, CYP3A7 GRM5 1146/4885GAA 188/4885MEN1 2365/4885
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 GRM5 1/4885GAA 4173/4885MEN1 4431/4885
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ADH1A, ADH5, ADH1C GRM5 1518/4885GAA 4307/4885MEN1 1709/4885

“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.