SCHEMBL30168231

SCHEMBL30168231

CCOC(=O)/N=c1\sccn1-c1ccccc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
BCHE P06276 1/20 0.39
RAB9A P51151 9/20 0.38
SMN1; SMN2 Q16637 8/20 0.38
NPC1 O15118 8/20 0.38
ALDH1A1 P00352 6/20 0.38
JAK2 O60674 3/20 0.38
PAX8 Q06710 3/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 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
SCHEMBL25001920 1.00 GSK3B (0.43) GSK3BBCHERAB9ASMN1; SMN2NPC1
SCHEMBL23749747 0.90 GSK3B (0.43) GSK3BBCHERAB9ASMN1; SMN2NPC1
SCHEMBL30130854 0.90 GSK3B (0.43) GSK3BBCHERAB9ASMN1; SMN2NPC1
SCHEMBL30130791 0.88 RAB9A (0.42) GSK3BBCHERAB9ASMN1; SMN2NPC1
SCHEMBL23749874 0.88 ALDH1A1 (0.42) GSK3BBCHERAB9ASMN1; SMN2NPC1
SCHEMBL30130859 0.88 ALDH1A1 (0.42) GSK3BBCHERAB9ASMN1; SMN2NPC1
SCHEMBL23749916 0.86 PKM (0.43) GSK3BBCHERAB9ASMN1; SMN2NPC1
SCHEMBL30130857 0.86 PKM (0.43) GSK3BBCHERAB9ASMN1; SMN2NPC1
SCHEMBL30130838 0.84 KCNA5 (0.37) GSK3BRAB9ANPC1JAK2PAX8
SCHEMBL23750079 0.84 GSK3B (0.53) GSK3BRAB9ASMN1; SMN2NPC1ALDH1A1

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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION THE ROCKEFELLER UNIVERSITY (US) 2024-10-17 US disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO 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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION LATS1, LATS2, YAP1 GSK3B 1265/4885BCHE 4350/4885RAB9A 2038/4885

“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.