SCHEMBL4227494

SCHEMBL4227494

COc1nc(NCCO[Si](C)(C)C(C)(C)C)nc(OC)c1N

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL4233139 0.80 ALDH1A1 (0.36)
SCHEMBL14621844 0.74 P2RX3 (0.37) CYP1A2CYP2C19TLR8TLR7
SCHEMBL13752400 0.73 KMT2A (0.46) CYP1A2CYP2C19
SCHEMBL13752391 0.72 TLR8 (0.42) KCNH3CYP1A2CYP2C19TLR8TLR7
SCHEMBL14621843 0.71 TLR8 (0.34) TLR8TLR7
SCHEMBL4227267 0.70 MAPT (0.34) CYP1A2CYP2C19
SCHEMBL4231696 0.70 HRH3 (0.41)
SCHEMBL4235972 0.69 GAA (0.42) CYP1A2CYP2C19TLR8TLR7
SCHEMBL14086978 0.68 KDM1A (0.48)
SCHEMBL1023793 0.68 APP (0.37) KCNH3

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 disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP 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 KCNH3 1094/4885CYP1A2 2089/4885CYP2C19 1924/4885

“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.