SCHEMBL4232913

SCHEMBL4232913

COc1nc(OC2CCN(C)CC2)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.36
MAPK14 Q16539 3/20 0.35
BRAF P15056 5/20 0.34
SSTR4 P31391 1/20 0.34
TTK P33981 1/20 0.33
LCK P06239 1/20 0.33
SRC P12931 1/20 0.33
TYK2 P29597 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
GPR6 P46095 1/20 0.33
MAPK7 Q13164 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
NLRP3 Q96P20 1/20 0.33
RAF1 P04049 2/20 0.32
GSK3B P49841 2/20 0.32

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
SCHEMBL4228320 0.92 NLRP3 (0.33) BRAFNLRP3RAF1
SCHEMBL4240786 0.90 PAICS (0.39) CSF1RBRAFHSP90AB1NLRP3GSK3B
SCHEMBL4228154 0.88 RAF1 (0.35) BRAFNLRP3RAF1
SCHEMBL4231833 0.88 LCK (0.41) CSF1RMAPK14BRAFSSTR4LCK
SCHEMBL4227314 0.83 NLRP3 (0.33) CSF1RBRAFLCKNLRP3
SCHEMBL14621903 0.81 RAF1 (0.34) BRAFNLRP3RAF1
SCHEMBL4231566 0.81 NLRP3 (0.37) MAPK14LCKKDRNLRP3
SCHEMBL4233090 0.81 BRAF (0.39) BRAF
SCHEMBL4238578 0.80 NLRP3 (0.41) MAPK14BRAFNLRP3
SCHEMBL4241626 0.79 GNRHR (0.43) MAPK14LCKKDR

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 CSF1R 1165/4885MAPK14 2170/4885BRAF 3705/4885

“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.