SCHEMBL5026907

SCHEMBL5026907

CN(CCO)CC(=O)Nc1cccc(-c2nc(-c3cccs3)nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.48
IKBKB O14920 1/20 0.44
LIMK1 P53667 1/20 0.42
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6222882 0.91 LHCGR (0.48) BRAFHPGDKDM4EALDH1A1MAPT
SCHEMBL5030868 0.87 BRAF (0.46) BRAFIKBKBLIMK1PDE4APDE4B
SCHEMBL5026190 0.86 BRAF (0.51) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5030956 0.86 BRAF (0.47) BRAFIKBKBLIMK1PDE4APDE4B
SCHEMBL5030950 0.86 BRAF (0.51) BRAFIKBKBLIMK1PDE4APDE4B
SCHEMBL5030902 0.84 LHCGR (0.52) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5026901 0.83 BRAF (0.49) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5028885 0.82 BRAF (0.48) BRAFIKBKBLIMK1PDE4APDE4B
SCHEMBL5026134 0.81 BRAF (0.51) BRAFIKBKBLIMK1PDE4APDE4B
SCHEMBL6221408 0.78 LHCGR (0.48) BRAFHPGDKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375109-B2 Glycine-substituted thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-05-20 US disclosed
EP-1427734-B1 GLYCINE-SUBSTITUTED THIENO[2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL NV (NL) 2005-11-09 EP disclosed
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity MERCK SHARP & DOHME B.V. (NL) 2004-09-16 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-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR BRAF 4677/4885IKBKB 2809/4885LIMK1 4850/4885

“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.