SCHEMBL2133864

SCHEMBL2133864

CSc1nc(-c2cccc(Cl)c2)c2c(N)c(C(=O)O)sc2n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.60
TSHR P16473 2/20 0.58
MAPT P10636 5/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FSHR P23945 1/20 0.49
ALDH1A1 P00352 3/20 0.45
BRAF P15056 2/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
KDM4E B2RXH2 2/20 0.43
RORB Q92753 1/20 0.42

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
SCHEMBL2132337 0.92 LHCGR (0.60) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5025967 0.89 LHCGR (0.62) LHCGRTSHRMAPTKMT2AMEN1
SCHEMBL6216455 0.88 LHCGR (0.59) LHCGRTSHRMAPTKMT2AMEN1
SCHEMBL6215212 0.87 MAPT (0.55) LHCGRTSHRMAPTKMT2AMEN1
SCHEMBL4419261 0.86 LHCGR (0.77) LHCGRTSHRMAPTKMT2AMEN1
SCHEMBL2131332 0.86 LHCGR (0.61) LHCGRTSHRMAPTKMT2AMEN1
SCHEMBL4899220 0.86 BRAF (0.61) LHCGRTSHRMAPTKMT2AMEN1
SCHEMBL14285233 0.84 LHCGR (0.56) LHCGRTSHRMAPTKMT2AMEN1
SCHEMBL4908873 0.82 LHCGR (0.55) LHCGRTSHRMAPTKMT2AMEN1
SCHEMBL4421145 0.81 BRAF (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445916-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS Merck Patent GmbH (DE) 2012-05-02 EP disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
WO-2010149257-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GMBH (DE) 2010-12-29 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-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS TGFBR1, TGFBR2, TGFB1 LHCGR 1781/4885TSHR 133/4885MAPT 4162/4885

“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.