SCHEMBL4325936

SCHEMBL4325936

CSc1nc(-c2ccc(Br)cc2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 9/20 0.71
TSHR P16473 2/20 0.69
FSHR P23945 2/20 0.57
CHRM4 P08173 2/20 0.47
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
BRAF P15056 3/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38

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
SCHEMBL4421168 0.84 LHCGR (0.84) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL4327464 0.84 TSHR (0.82) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL4327472 0.84 TSHR (0.82) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL4315364 0.83 LHCGR (1.00) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL4313210 0.82 LHCGR (1.00) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL13749841 0.82 TSHR (1.00) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL13749858 0.82 TSHR (0.79) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL32156160 0.82 LHCGR (1.00) LHCGRTSHRFSHRCHRM4MAPT
SCHEMBL4326072 0.82 LHCGR (1.00) LHCGRTSHRFSHRCHRM4MAPT
SCHEMBL14285232 0.80 LHCGR (0.76) LHCGRTSHRFSHRCHRM4MAPT

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.