SCHEMBL13749841

SCHEMBL13749841

COC/C=C/c1ccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
LHCGR P22888 11/20 0.64
FSHR P23945 2/20 0.52
CHRM4 P08173 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRAF P15056 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4327464 0.91 TSHR (0.82) TSHRLHCGRFSHRCHRM4MEN1
SCHEMBL4327472 0.91 TSHR (0.82) TSHRLHCGRFSHRCHRM4MEN1
SCHEMBL13749858 0.88 TSHR (0.79) TSHRLHCGRFSHRCHRM4MEN1
SCHEMBL13757312 0.88 TSHR (0.79) TSHRLHCGRFSHRCHRM4BRAF
SCHEMBL4325936 0.82 LHCGR (0.71) TSHRLHCGRFSHRCHRM4BRAF
SCHEMBL4326072 0.78 LHCGR (1.00) TSHRLHCGRFSHRCHRM4MEN1
SCHEMBL32156160 0.78 LHCGR (1.00) TSHRLHCGRFSHRCHRM4MEN1
SCHEMBL4421168 0.77 LHCGR (0.84) TSHRLHCGRFSHRCHRM4BRAF
SCHEMBL4315364 0.76 LHCGR (1.00) TSHRLHCGRFSHRCHRM4BRAF
SCHEMBL4425902 0.75 LHCGR (0.78) TSHRLHCGRFSHRBRAF

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-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
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 TSHR 2/4885LHCGR 5/4885FSHR 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.