SCHEMBL2496934

SCHEMBL2496934

CCSc1nnc(-c2ccncc2)n1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.73
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 1/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HDAC3 O15379 1/20 0.58
PTK2 Q05397 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
DRD2 P14416 1/20 0.56
CDC25A P30304 1/20 0.55

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
SCHEMBL9224636 0.85 DRD2 (0.77) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1544895 0.81 ALDH1A1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6409127 0.80 SMN1; SMN2 (0.80) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17712729 0.80 HDAC3 (0.69) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16944479 0.80 SMN1; SMN2 (1.00) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6405090 0.79 ALDH1A1 (0.72) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6404779 0.78 SMN1; SMN2 (0.80) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16944458 0.78 SMN1; SMN2 (0.80) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6408827 0.77 TSHR (0.62) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL22019056 0.77 GAA (0.60) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1

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-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
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

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-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 NPC1 2969/4885MEN1 3630/4885KMT2A 282/4885

“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.