SCHEMBL4237150

SCHEMBL4237150

COc1nc(NCCN)nc(OC)c1NC(=O)c1csc(Oc2cc(C(C)C)ccc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.36
IRAK1 P51617 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
GNRHR P30968 2/20 0.34
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA1F O60840 1/20 0.34
CHRM4 P08173 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
TACR1 P25103 1/20 0.34
PTAFR P25105 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
SCHEMBL4228309 0.93 IRAK4 (0.35) IRAK4GNRHRBCHEACHELMNA
SCHEMBL13743556 0.93 BCHE (0.40) GNRHRBCHEACHELMNAMAPT
SCHEMBL4228966 0.92 GNRHR (0.42) GNRHRBCHEACHELMNAMAPT
SCHEMBL4237726 0.91 GNRHR (0.36) GNRHRBCHEACHELMNAMAPT
SCHEMBL4236660 0.90 GNRHR (0.35) GNRHRBCHEACHELMNAMAPT
SCHEMBL4228203 0.90 ACHE (0.36) GNRHRBCHEACHELMNAMAPT
SCHEMBL4565739 0.88 GNRHR (0.33) GNRHRBCHEACHELMNAMAPT
SCHEMBL4237708 0.87 GNRHR (0.33) GNRHRBCHEACHELMNAMAPT
SCHEMBL4236457 0.87 SYK (0.36) SYKIRAK1IRAK4GNRHRMAPT
SCHEMBL4237710 0.85 LMNA (0.32) GNRHRBCHEACHELMNAMAPT

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 SYK 3717/4885IRAK1 4239/4885IRAK4 4616/4885

“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.