SCHEMBL4233449

SCHEMBL4233449

COc1nc(N2CCNC2=O)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.33
KCNQ2 O43526 3/20 0.33
KLKB1 P03952 1/20 0.33
NLRP3 Q96P20 1/20 0.33
BRAF P15056 7/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL4239860 0.85 CHEK1 (0.35) KCNQ3KCNQ2BRAF
SCHEMBL4231566 0.82 NLRP3 (0.37) KLKB1NLRP3TSHRHTT
SCHEMBL4233090 0.81 BRAF (0.39) KCNQ3KCNQ2BRAFHCRTR1HCRTR2
SCHEMBL4238578 0.81 NLRP3 (0.41) KCNQ3KCNQ2KLKB1NLRP3BRAF
SCHEMBL4236135 0.80 BRD4 (0.36) NLRP3BRAF
SCHEMBL4240786 0.80 PAICS (0.39) NLRP3BRAF
SCHEMBL4228154 0.79 RAF1 (0.35) KLKB1NLRP3BRAFTSHRHTT
SCHEMBL4236143 0.79 NLRP3 (0.34) KLKB1NLRP3BRAFTSHRHTT
SCHEMBL4232913 0.79 CSF1R (0.36) NLRP3BRAF
SCHEMBL4231833 0.79 LCK (0.41) BRAF

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
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 KCNQ3 2097/4885KCNQ2 2241/4885KLKB1 2239/4885

“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.