SCHEMBL4228154

SCHEMBL4228154

COc1nc(OC2CNC2)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.35
BRAF P15056 5/20 0.35
NLRP3 Q96P20 1/20 0.34
KLKB1 P03952 1/20 0.32
PAICS P22234 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 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
SCHEMBL14621903 0.93 RAF1 (0.34) RAF1BRAFNLRP3PAICS
SCHEMBL4240786 0.92 PAICS (0.39) BRAFNLRP3PAICS
SCHEMBL4228320 0.90 NLRP3 (0.33) RAF1BRAFNLRP3KLKB1TSHR
SCHEMBL4232913 0.88 CSF1R (0.36) RAF1BRAFNLRP3
SCHEMBL4236143 0.87 NLRP3 (0.34) RAF1BRAFNLRP3KLKB1TSHR
SCHEMBL4238578 0.84 NLRP3 (0.41) BRAFNLRP3KLKB1TSHRHTT
SCHEMBL4231566 0.83 NLRP3 (0.37) NLRP3KLKB1TSHRHTT
SCHEMBL4236135 0.83 BRD4 (0.36) BRAFNLRP3
SCHEMBL4233297 0.80 NLRP3 (0.36) NLRP3
SCHEMBL4227314 0.80 NLRP3 (0.33) BRAFNLRP3KLKB1TSHRHTT

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
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
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR RAF1 2140/4885BRAF 3705/4885NLRP3 3350/4885

“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.