SCHEMBL13477357

SCHEMBL13477357

O=C(NC1=NCCS1)c1nc(Sc2nnc[nH]2)ccc1SC1CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.36
RAB9A P51151 13/20 0.36
SMN1; SMN2 Q16637 8/20 0.36
TP53 P04637 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL13477353 0.83 GCK (0.40) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL13477350 0.82 GCK (0.47) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL13477360 0.82 GCK (0.48) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL13477351 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL13477358 0.80 GCK (0.51) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL13477349 0.80 GCK (0.50) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL13477355 0.80 KMT2A (0.38) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12513816 0.77 GCK (0.36) NPC1RAB9ASMN1; SMN2NFKB1HTT
SCHEMBL2212256 0.63 GCK (0.53)
SCHEMBL2213959 0.63 GCK (0.40) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 NPC1 4261/4885RAB9A 3609/4885SMN1; 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.