SCHEMBL2643079

SCHEMBL2643079

CCC(=O)c1csc(C)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HIF1A Q16665 1/20 0.46
TLR7 Q9NYK1 3/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
ECE1 P42892 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PLA2G4A P47712 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2485900 0.82 HIF1A (0.45) RAB9ANPC1SMN1; SMN2HIF1ATLR7
SCHEMBL27830217 0.80 TLR7 (0.50) RAB9ANPC1SMN1; SMN2HIF1ATLR7
SCHEMBL2642636 0.80 RAB9A (0.40) RAB9ANPC1SMN1; SMN2HIF1AMAPT
SCHEMBL2643075 0.80 PLA2G4A (0.37) RAB9ANPC1SMN1; SMN2HIF1ATLR7
SCHEMBL27917048 0.80 TLR7 (0.40) RAB9ANPC1SMN1; SMN2TLR7KDM4E
SCHEMBL2642436 0.80 ALDH1A1 (0.60) RAB9ANPC1SMN1; SMN2KDM4EMAPT
Bromide SCHEMBL10978319 0.80 HIF1A (0.44) RAB9ANPC1SMN1; SMN2HIF1ATLR7
SCHEMBL2642634 0.80 PLA2G4A (0.37) RAB9ANPC1SMN1; SMN2HIF1AKDM4E
SCHEMBL2642435 0.80 PLA2G4A (0.37) RAB9ANPC1SMN1; SMN2HIF1ATLR7
SCHEMBL25446548 0.79 PLA2G4A (0.46) RAB9ANPC1SMN1; SMN2MAPTMEN1

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 RAB9A 3609/4885NPC1 4261/4885SMN1; SMN2 4125/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 RAB9A 3535/4885NPC1 4274/4885SMN1; SMN2 4142/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 RAB9A 3609/4885NPC1 4261/4885SMN1; SMN2 4125/4885

“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.