SCHEMBL6220548

SCHEMBL6220548

COc1cccc(-c2nc(-c3ccccc3)nc3sc(C(=O)OC(C)C)c(N)c23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 3/20 0.57
BRAF P15056 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MAPT P10636 9/20 0.52
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 2/20 0.52
ATM Q13315 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TLR9 Q9NR96 1/20 0.52

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
SCHEMBL6216225 0.89 LHCGR (0.59) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6218448 0.88 LHCGR (0.57) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6214088 0.86 MAPT (0.60) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6216776 0.86 LHCGR (0.58) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL27475607 0.85 MAPT (0.52) LHCGRMAPTKDM4EALDH1A1KMT2A
SCHEMBL6217826 0.80 LHCGR (0.54) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6215139 0.77 LHCGR (0.59) LHCGRMAPTKDM4EALDH1A1KMT2A
SCHEMBL4418734 0.77 KDM4E (0.62) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL27491950 0.76 MAPT (0.48) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6219263 0.75 MAPT (0.62) LHCGRBRAFPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 EP disclosed
US-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 US disclosed
US-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists MERCK SHARP & DOHME B.V. (NL) 2003-11-13 US disclosed
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 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-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists LHCGR, GNRHR, FSHR LHCGR 1/4885BRAF 4753/4885PDE4A 525/4885

“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.