SCHEMBL4228221

SCHEMBL4228221

COc1nc(N(C)C)nc(OC)c1NC(=O)c1coc(Oc2cccc(C(C)(C)C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.38
KLKB1 P03952 1/20 0.37
RAF1 P04049 5/20 0.36
P2RY1 P47900 3/20 0.35
MAPT P10636 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
TP53 P04637 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ADA P00813 1/20 0.33
IDO1 P14902 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
STAT1 P42224 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4228231 0.85 RAD52 (0.41) BRAFKLKB1RAF1P2RY1MAPT
SCHEMBL4238578 0.84 NLRP3 (0.41) BRAFKLKB1KCNQ3KCNQ2NLRP3
SCHEMBL4233344 0.83 BRAF (0.37) BRAFRAF1P2RY1MAPTEGLN1
SCHEMBL4231616 0.81 BRAF (0.34) BRAFKLKB1RAF1P2RY1MAPT
SCHEMBL4847259 0.79 RAD52 (0.40) BRAFKLKB1RAF1MAPTHTT
SCHEMBL4233105 0.77 CYP2C9 (0.51) BRAFRAF1NPC1MAPK14
SCHEMBL4240228 0.77 GNRHR (0.38) KLKB1SMN1; SMN2
SCHEMBL1661912 0.76 KLKB1 (0.42) KLKB1RAF1P2RY1MAPTEGLN1
SCHEMBL4241773 0.75 BRAF (0.41) BRAFKLKB1KCNQ3KCNQ2NLRP3
SCHEMBL4231566 0.72 NLRP3 (0.37) KLKB1NLRP3HTTMAPK14

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 BRAF 3705/4885KLKB1 2239/4885RAF1 2140/4885

“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.