SCHEMBL5030868

SCHEMBL5030868

COCCN(CCOC)CC(=O)Nc1cccc(-c2nc(-c3cccs3)nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.46
IKBKB O14920 1/20 0.43
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
LIMK1 P53667 1/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6221408 0.92 LHCGR (0.48) BRAFMAPTHPGDMEN1KMT2A
SCHEMBL5026192 0.90 BRAF (0.48) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5026907 0.87 BRAF (0.48) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5030950 0.86 BRAF (0.51) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5024690 0.85 LHCGR (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5028885 0.84 BRAF (0.48) BRAFIKBKBPDE4APDE4BPDE4C
SCHEMBL5026097 0.83 BRAF (0.49) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5026981 0.81 BRAF (0.55) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5026101 0.81 LHCGR (0.51) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5028883 0.80 BRAF (0.48) BRAFPDE4APDE4BPDE4CPDE4D

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 2809/4885PDE4A 638/4885

“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.