SCHEMBL4233090

SCHEMBL4233090

COc1nc(N2CCC(N)C2)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
KCNQ3 O43525 9/20 0.37
KCNQ2 O43526 9/20 0.37
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NTRK1 P04629 1/20 0.35
MAP4K1 Q92918 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
CAMK1D Q8IU85 2/20 0.34
RBP4 P02753 1/20 0.34

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
SCHEMBL4233449 0.81 KCNQ3 (0.33) BRAFKCNQ3KCNQ2HCRTR1HCRTR2
SCHEMBL4231833 0.81 LCK (0.41) BRAF
SCHEMBL4232913 0.81 CSF1R (0.36) BRAF
SCHEMBL4228320 0.81 NLRP3 (0.33) BRAFKCNQ3KCNQ2HCRTR1HCRTR2
SCHEMBL4227314 0.81 NLRP3 (0.33) BRAFKCNQ3KCNQ2HCRTR1HCRTR2
SCHEMBL4231566 0.80 NLRP3 (0.37)
SCHEMBL4238578 0.80 NLRP3 (0.41) BRAFKCNQ3KCNQ2
SCHEMBL4236135 0.79 BRD4 (0.36) BRAF
SCHEMBL4240786 0.79 PAICS (0.39) BRAFIRAK4
SCHEMBL4228154 0.78 RAF1 (0.35) 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
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 3705/4885KCNQ3 2097/4885KCNQ2 2241/4885

“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.