SCHEMBL4236135

SCHEMBL4236135

COc1nc(NC2CCNCC2)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
JAK2 O60674 1/20 0.36
MAPK14 Q16539 6/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
NLRP3 Q96P20 1/20 0.33
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
EHMT2 Q96KQ7 1/20 0.32
GSK3A P49840 1/20 0.31
PTK2 Q05397 1/20 0.31
LCK P06239 1/20 0.31
PIK3C2G O75747 1/20 0.31
BRAF P15056 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
SCHEMBL4236143 0.92 NLRP3 (0.34) MAPK14NLRP3EHMT2GSK3ABRAF
SCHEMBL4231833 0.90 LCK (0.41) BRD4MAPK14CDK1EHMT2GSK3A
SCHEMBL4227314 0.88 NLRP3 (0.33) NLRP3GSK3APTK2LCKBRAF
SCHEMBL4240786 0.88 PAICS (0.39) NLRP3GSK3BDYRK1ABRAF
SCHEMBL4231566 0.85 NLRP3 (0.37) MAPK14NLRP3LCK
SCHEMBL4233312 0.83 EHMT2 (0.38) NLRP3EHMT2
SCHEMBL4228154 0.83 RAF1 (0.35) NLRP3BRAF
SCHEMBL4236125 0.81 GNRHR (0.37) NLRP3LCKBRAF
SCHEMBL13743552 0.81 GNRHR (0.37) NLRP3
SCHEMBL4238578 0.81 NLRP3 (0.41) MAPK14NLRP3BRAF

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 BRD4 1369/4885JAK2 2121/4885MAPK14 2170/4885

“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.