SCHEMBL2642634

SCHEMBL2642634

CCC(=O)c1csc([S])n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.37
MAPT P10636 8/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PI4KB Q9UBF8 1/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL2643079 0.80 RAB9A (0.47) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2642408 0.78
SCHEMBL2642636 0.77 RAB9A (0.40) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2642436 0.77 ALDH1A1 (0.60) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2642435 0.77 PLA2G4A (0.37) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2643075 0.77 PLA2G4A (0.37) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL27917048 0.77 TLR7 (0.40) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2643525 0.77 HIF1A (0.41) MAPTNPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL25446548 0.76 PLA2G4A (0.46) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL22462576 0.76 PLA2G4A (0.54) PLA2G4AMAPTNPC1RAB9AALDH1A1

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 PLA2G4A 2009/4885MAPT 4596/4885NPC1 4261/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 PLA2G4A 2088/4885MAPT 4612/4885NPC1 4274/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PLA2G4A 2009/4885MAPT 4596/4885NPC1 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.