SCHEMBL4233344

SCHEMBL4233344

COc1nc(N(C)C)nc(OC)c1NC(=O)c1csc(Oc2cccc(C(C)(C)C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
RAF1 P04049 5/20 0.35
P2RY1 P47900 2/20 0.35
KDM4E B2RXH2 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 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
SCHEMBL14621836 0.88 BRAF (0.39) BRAFMAPTPOLBHTTIRAK4
SCHEMBL4233423 0.86 RAD52 (0.44) BRAFMAPTPOLBHTTIRAK4
SCHEMBL4231456 0.85 KCNQ3 (0.33) BRAFPOLBHTTKCNQ3KCNQ2
SCHEMBL4228221 0.83 BRAF (0.38) BRAFMAPTHTTRAF1P2RY1
SCHEMBL4233154 0.81 MAPT (0.34) BRAFMAPTPOLBHTTIRAK4
SCHEMBL4847259 0.80 RAD52 (0.40) BRAFMAPTPOLBHTTRAF1
SCHEMBL4233120 0.77 CACNA1F (0.36) MAPTIRAK4KDM4E
SCHEMBL4236029 0.77 CYP2C9 (0.49) KDM4ELCKKDR
SCHEMBL4232972 0.72 F2 (0.34) BRAFPOLBKCNQ3KCNQ2
SCHEMBL4241622 0.71 RAD52 (0.36) BRAFKDM4EKCNQ3KCNQ2LCK

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 5 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
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP claimed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO 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

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 3705/4885MAPT 4754/4885POLB 3080/4885

“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.