SCHEMBL2642533

SCHEMBL2642533

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
POLB P06746 2/20 0.49
GAA P10253 3/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 6/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 6/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10288443 0.84 HPGD (0.51) HPGDRAB9ANPC1POLBGAA
SCHEMBL2642394 0.83 CYP1A2 (0.45) RAB9ANPC1POLBGAAHDAC1
SCHEMBL2642536 0.83 HPGD (0.50) HPGDRAB9ANPC1POLBGAA
SCHEMBL30358516 0.81 CYP1A2 (0.49) HPGDRAB9ANPC1POLBGAA
SCHEMBL2642294 0.80 MAPT (0.51) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL30358513 0.80 HPGD (0.48) HPGDRAB9ANPC1POLBGAA
SCHEMBL22326468 0.80 HPGD (0.48) HPGDRAB9ANPC1POLBGAA
SCHEMBL15648144 0.80 LMNA (0.48) HPGDRAB9ANPC1POLBGAA
SCHEMBL12409532 0.78 HDAC1 (0.78) HPGDRAB9ANPC1POLBGAA
SCHEMBL2642529 0.77 MAPT (0.37) RAB9ANPC1POLBGAAHDAC1

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 HPGD 2127/4885RAB9A 3609/4885NPC1 4261/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 HPGD 2159/4885RAB9A 3535/4885NPC1 4274/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HPGD 2127/4885RAB9A 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.