SCHEMBL4325451

SCHEMBL4325451

COc1cccc(-c2nc(SC)nc3sc(C(=O)NCCO)c(N)c23)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 9/20 0.75
TSHR P16473 2/20 0.75
FSHR P23945 2/20 0.53
BRAF P15056 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
CHRM4 P08173 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MTOR P42345 1/20 0.47
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
FLT1 P17948 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL4331233 0.91 LHCGR (0.77) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4328116 0.91 LHCGR (0.71) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4322522 0.90 LHCGR (0.81) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL17467741 0.89 LHCGR (0.82) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4331127 0.89 LHCGR (0.76) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4329961 0.89 LHCGR (0.73) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL6427025 0.86 LHCGR (0.78) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4326072 0.85 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4335341 0.85 LHCGR (0.77) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL32156160 0.85 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203716-A1 Pyrimidine low molecular weight ligands for modulating hormone receptors The Government of the United States of America as represented by the Secretary of the 2009-08-13 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-20090203716-A1 Pyrimidine low molecular weight ligands for modulating hormone receptors FSHR, TSHR, TRHR LHCGR 5/4885TSHR 2/4885FSHR 1/4885

“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.