SCHEMBL2642898

SCHEMBL2642898

CCC(=O)Nc1csc([NH])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.43
ADORA1 P30542 6/20 0.43
ADORA2A P29274 5/20 0.43
ADORA2B P29275 3/20 0.43
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL11355587 0.81 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL2645328 0.81 SMN1; SMN2 (0.57) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL2642608 0.80 L3MBTL1 (0.43) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL2644136 0.80 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL2643406 0.79 ADORA3 (0.43) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL2645325 0.79 ADORA3 (0.43) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL2642900 0.79 HTT (0.47) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL2643403 0.79 ALDH1A1 (0.44) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL2644138 0.77 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL2642435 0.73 PLA2G4A (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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 ADORA3 809/4885ADORA1 1111/4885ADORA2A 610/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ADORA3 760/4885ADORA1 1086/4885ADORA2A 597/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ADORA3 809/4885ADORA1 1111/4885ADORA2A 610/4885

“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.