SCHEMBL4229030

SCHEMBL4229030

COc1nc(OCCO)nc(OC)c1NC(=O)c1csc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.33
EDNRB P24530 3/20 0.33
GRM4 Q14833 1/20 0.33
POLQ O75417 1/20 0.33
NR1I2 O75469 3/20 0.32
MAPK1 P28482 2/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
DHPS P49366 1/20 0.32
NR1H3 Q13133 1/20 0.32
NR1I3 Q14994 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL4621267 0.95 GRM4 (0.36) EDNRAEDNRBGRM4POLQNR1I2
SCHEMBL4233491 0.92 GRM4 (0.38) GRM4NR1I2MAPK1MEN1POLB
SCHEMBL4621743 0.91 IRAK4 (0.37) EDNRAEDNRBNR1I2POLB
SCHEMBL4231659 0.90 NR1I2 (0.33) GRM4NR1I2MAPK1MEN1POLB
SCHEMBL13743529 0.90 LMNA (0.36) GRM4MAPK1MEN1KMT2ATLR7
SCHEMBL14621561 0.90 NR1I2 (0.34) NR1I2
SCHEMBL4237611 0.90 ABCB1 (0.32) GRM4NR1I2MAPK1MEN1POLB
SCHEMBL4226936 0.90 NR1I2 (0.34) NR1I2
SCHEMBL14621557 0.89 NR1I2 (0.35) NR1I2
SCHEMBL4236707 0.89 PAICS (0.33) GRM4NR1I2MAPK1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US claimed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR EDNRA 55/4885EDNRB 41/4885GRM4 1409/4885

“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.