SCHEMBL2642529

SCHEMBL2642529

CCC(=O)c1csc(C[NH])n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
HSP90AA1 P07900 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PLA2G4A P47712 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2642531 0.82 MAPT (0.38) MAPTRAB9ANPC1HSP90AA1HDAC1
SCHEMBL2642294 0.81 MAPT (0.51) MAPTRAB9ANPC1HSP90AA1HDAC1
SCHEMBL2642394 0.78 CYP1A2 (0.45) MAPTRAB9ANPC1HDAC1HDAC8
SCHEMBL2642446 0.78 HTR2B (0.44) MAPTRAB9ANPC1HDAC1HDAC8
SCHEMBL2642435 0.78 PLA2G4A (0.37) MAPTRAB9ANPC1PLA2G4AMEN1
SCHEMBL2642533 0.77 HPGD (0.50) MAPTRAB9ANPC1HDAC1HDAC8
SCHEMBL2643079 0.77 RAB9A (0.47) MAPTRAB9ANPC1PLA2G4AMEN1
SCHEMBL5222621 0.76 PLA2G4A (0.38) MAPTRAB9ANPC1HSP90AA1HDAC1
SCHEMBL2644136 0.75 ADORA3 (0.48) MAPTRAB9ANPC1MEN1ALDH1A1
SCHEMBL2642634 0.74 PLA2G4A (0.37) MAPTRAB9ANPC1HSP90AA1PLA2G4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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 (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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 MAPT 4596/4885RAB9A 3609/4885NPC1 4261/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 MAPT 4612/4885RAB9A 3535/4885NPC1 4274/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 MAPT 4596/4885RAB9A 3609/4885NPC1 4261/4885

“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.