SCHEMBL4238552

SCHEMBL4238552

COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(OC)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PTPN11 Q06124 1/20 0.47
MAP4K4 O95819 1/20 0.46
PIK3CA P42336 2/20 0.45
GPR119 Q8TDV5 5/20 0.45
ACHE P22303 1/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TLR9 Q9NR96 2/20 0.42
CHRNA7 P36544 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL4226448 0.95 CKS1B (0.47) ADORA2AADORA1PTPN11MAP4K4PIK3CA
SCHEMBL10297496 0.84 GPR119 (0.55) ADORA2AADORA1PTPN11MAP4K4PIK3CA
SCHEMBL4233300 0.82 MAPT (0.53) ADORA2AADORA1PTPN11GPR119ACHE
SCHEMBL25189993 0.81 MAP4K4 (0.49) ADORA2AADORA1PTPN11MAP4K4PIK3CA
SCHEMBL31006180 0.81 MAP4K4 (0.49) ADORA2AADORA1PTPN11MAP4K4PIK3CA
SCHEMBL15921897 0.79 CKS1B (0.55) ADORA2AADORA1PTPN11MAP4K4PIK3CA
SCHEMBL4235259 0.78 MAPT (0.49) ADORA2AADORA1PTPN11GPR119ACHE
SCHEMBL18667935 0.78 TLR9 (0.49) ADORA2AADORA1PTPN11MAP4K4PIK3CA
SCHEMBL30422517 0.78 PTPN11 (0.58) PTPN11GPR119ACHECKS1BSKP1
SCHEMBL14387482 0.77 MEN1 (0.50) ADORA2AADORA1PTPN11MAP4K4PIK3CA

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 3 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
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 ADORA2A 2397/4885ADORA1 2834/4885PTPN11 313/4885

“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.