SCHEMBL4231833

SCHEMBL4231833

COc1nc(NC2CCN(C)CC2)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.41
GSK3A P49840 1/20 0.39
SSTR4 P31391 1/20 0.37
CSF1R P07333 2/20 0.35
PTK2 Q05397 4/20 0.35
EHMT2 Q96KQ7 5/20 0.35
EHMT1 Q9H9B1 4/20 0.35
BRD4 O60885 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
FLT3 P36888 1/20 0.34
BRAF P15056 1/20 0.34
CDK1 P06493 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

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
SCHEMBL4227314 0.92 NLRP3 (0.33) LCKGSK3ACSF1RPTK2BRAF
SCHEMBL4236135 0.90 BRD4 (0.36) LCKGSK3APTK2EHMT2BRD4
SCHEMBL4236143 0.88 NLRP3 (0.34) GSK3AEHMT2MAPK14BRAF
SCHEMBL4232913 0.88 CSF1R (0.36) LCKSSTR4CSF1RMAPK14BRAF
SCHEMBL4231566 0.84 NLRP3 (0.37) LCKMAPK14GNRHR
SCHEMBL4228320 0.83 NLRP3 (0.33) BRAF
SCHEMBL4241626 0.82 GNRHR (0.43) LCKGSK3AMAPK14CACNA1FCHRM4
SCHEMBL4231637 0.82 GNRHR (0.43) LCKGSK3AMAPK14CACNA1FCHRM4
SCHEMBL4234150 0.81 GNRHR (0.46) LCKEHMT2MAPK14KDM1ARCOR1
SCHEMBL4233090 0.81 BRAF (0.39) BRAF

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 LCK 3599/4885GSK3A 4636/4885SSTR4 35/4885

“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.