SCHEMBL2642294

SCHEMBL2642294

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM1A O60341 5/20 0.45
FPR2 P25090 6/20 0.39
FPR3 P25089 5/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL13547516 0.82 MAPT (0.53) MAPTNPC1RAB9AKDM1AFPR2
SCHEMBL2642529 0.81 MAPT (0.37) MAPTNPC1RAB9AHDAC1HDAC8
SCHEMBL2642446 0.81 HTR2B (0.44) MAPTNPC1RAB9AHDAC1HDAC8
SCHEMBL27684635 0.81 RAB9A (0.51) MAPTNPC1RAB9AKDM1AFPR2
SCHEMBL9926020 0.81 MAPT (0.51) MAPTNPC1RAB9AKDM1AFPR2
SCHEMBL2642533 0.80 HPGD (0.50) MAPTNPC1RAB9AHDAC1HDAC8
SCHEMBL1706525 0.79 RAB9A (0.50) MAPTNPC1RAB9AKDM1AFPR2
SCHEMBL14076073 0.78 FPR2 (0.51) MAPTNPC1RAB9AKDM1AFPR2
SCHEMBL26724893 0.78 MAPT (0.49) MAPTNPC1RAB9AKDM1AFPR2
SCHEMBL2642394 0.78 CYP1A2 (0.45) MAPTNPC1RAB9AHDAC1HDAC8

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 4596/4885NPC1 4261/4885RAB9A 3609/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 MAPT 4612/4885NPC1 4274/4885RAB9A 3535/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 MAPT 4596/4885NPC1 4261/4885RAB9A 3609/4885

“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.