SCHEMBL2477798

SCHEMBL2477798

CNC(=S)NNC(=O)c1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.69
CA1 P00915 6/20 0.69
CA9 Q16790 6/20 0.69
POLB P06746 1/20 0.69
HPGD P15428 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ALDH1A1 P00352 3/20 0.68
LMNA P02545 2/20 0.65
RAB9A P51151 1/20 0.63
TP53 P04637 1/20 0.62
HTT P42858 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56

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
SCHEMBL2992964 0.82 ALDH1A1 (1.00) GAACA1CA9POLBHPGD
SCHEMBL9121193 0.81 ALDH1A1 (0.73) GAACA1CA9POLBHPGD
SCHEMBL9220486 0.81 RAB9A (0.67) GAAPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL3003231 0.81 ALDH1A1 (0.73) GAACA1CA9POLBHPGD
SCHEMBL21408728 0.81 RAB9A (0.54) GAACA1CA9POLBHPGD
SCHEMBL7907958 0.80 GAA (0.72) GAAPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL11414330 0.80 GAA (0.70) GAACA1CA9POLBSMN1; SMN2
SCHEMBL2995413 0.79 ALDH1A1 (0.75) GAACA1CA9POLBHPGD
SCHEMBL10652021 0.79 ALDH1A1 (0.68) GAACA1CA9POLBHPGD
SCHEMBL16642162 0.78 ALDH1A1 (0.67) GAACA1CA9HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110295016-A1 A NEW PROCESS FOR PREPARING 4-[4-METHYL-5-(CL-10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO)-4H-1,2,4-TRIAZOL-3-YL]PYRIDINES ASTRAZENECA AB (SE) 2011-12-01 US claimed
EP-2376474-A1 A NEW PROCESS FOR PREPARING 4- Ý4-METHYL-5- (CL- 10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO) -4H-1, 2, 4-TRIAZOL-3- YL¨PYRIDINES. AstraZeneca AB (SE) 2011-10-19 EP claimed
WO-2010068172-A1 A NEW PROCESS FOR PREPARING 4- [4-METHYL-5- (CL- 10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO) -4H-1, 2, 4-TRIAZOL-3- YL] PYRIDINES. ASTRAZENECA AB (SE) 2010-06-17 WO claimed
US-20110295016-A1 A NEW PROCESS FOR PREPARING 4-[4-METHYL-5-(CL-10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO)-4H-1,2,4-TRIAZOL-3-YL]PYRIDINES ASTRAZENECA AB (SE) 2011-12-01 US disclosed
US-20110295016-A1 A NEW PROCESS FOR PREPARING 4-[4-METHYL-5-(CL-10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO)-4H-1,2,4-TRIAZOL-3-YL]PYRIDINES ASTRAZENECA AB (SE) 2011-12-01 US disclosed
US-20110295016-A1 A NEW PROCESS FOR PREPARING 4-[4-METHYL-5-(CL-10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO)-4H-1,2,4-TRIAZOL-3-YL]PYRIDINES ASTRAZENECA AB (SE) 2011-12-01 US disclosed
CN-102245592-A Preparation of 4- [ 4-methyl-5- (C)1-10Alkylthio radicals/C5-10aryl-C1-6Alkylthio) -4H-1 ASTRAZENECA AB 2011-11-16 CN disclosed
EP-2376474-A1 A NEW PROCESS FOR PREPARING 4- Ý4-METHYL-5- (CL- 10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO) -4H-1, 2, 4-TRIAZOL-3- YL¨PYRIDINES. AstraZeneca AB (SE) 2011-10-19 EP disclosed
WO-2010068172-A1 A NEW PROCESS FOR PREPARING 4- [4-METHYL-5- (CL- 10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO) -4H-1, 2, 4-TRIAZOL-3- YL] PYRIDINES. ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
WO-2010068172-A1 A NEW PROCESS FOR PREPARING 4- [4-METHYL-5- (CL- 10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO) -4H-1, 2, 4-TRIAZOL-3- YL] PYRIDINES. ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
US-7476684-B2 Compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2009-01-13 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
WO-2007040982-A1 5- (PHENYLISOXAZOLYLETHOXY) -TRIAZOL- 3 -YL SUBSTITUTED PYRIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007040982-A1 5- (PHENYLISOXAZOLYLETHOXY) -TRIAZOL- 3 -YL SUBSTITUTED PYRIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
EP-0276793-B1 3-ARYL-5-ALKYLTHIO-4H-1,2,4-TRIAZOLES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-16 EP disclosed
US-4981863-A ANTIANXIETY MERRELL DOW PHARMACEUTICALS (US) 1991-01-01 US disclosed
US-4900743-A TREATING MUSCLE SPASMS MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-13 US disclosed
EP-0276793-A2 3-Aryl-5-alkylthio-4H-1,2,4-triazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-03 EP 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 (2 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-20110295016-A1 A NEW PROCESS FOR PREPARING 4-[4-METHYL-5-(CL-10ALKYLTHIO/C5-10ARYL-CL-6ALKYLTHIO)-4H-1,2,4-TRIAZOL-3-YL]PYRIDINES NT5C, CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GAA 4322/4885CA1 2029/4885CA9 1123/4885
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders GRIN2C, OPRL1, GRIN2A GAA 486/4885CA1 2584/4885CA9 4664/4885

“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.