SCHEMBL4233154

SCHEMBL4233154

COc1nc(NC2CN(C)C2)nc(OC)c1NC(=O)c1csc(Oc2cccc(C(C)(C)C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
BRAF P15056 6/20 0.34
SCN9A Q15858 1/20 0.34
RAF1 P04049 4/20 0.33
LCK P06239 2/20 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
SLC8A1 P32418 2/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
PTK2 Q05397 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GSK3A P49840 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
SCHEMBL4226331 0.87 LCK (0.33) BRAFLCKIRAK4PTK2GSK3A
SCHEMBL14621836 0.86 BRAF (0.39) MAPTPOLBHTTBRAFRAF1
SCHEMBL4231616 0.85 BRAF (0.34) MAPTBRAFSCN9ARAF1LCK
SCHEMBL4688969 0.84 CYP2C9 (0.42) MAPTLCKKDRFGFR1KDM4E
SCHEMBL4233344 0.81 BRAF (0.37) MAPTPOLBHTTBRAFRAF1
SCHEMBL4236795 0.81 CACNA1F (0.39) SLC8A1FGFR1IRAK4
SCHEMBL4233423 0.80 RAD52 (0.44) MAPTPOLBHTTBRAFRAF1
SCHEMBL4236029 0.79 CYP2C9 (0.49) LCKKDRFGFR1KDM4E
SCHEMBL4227550 0.75 CACNA1F (0.48)
SCHEMBL4847259 0.75 RAD52 (0.40) MAPTPOLBHTTBRAFRAF1

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
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
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 MAPT 4754/4885POLB 3080/4885HTT 658/4885

“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.