SCHEMBL546233

SCHEMBL546233

COC(=O)c1ccc2ccc(Oc3ccnc(NC(=O)OC(C)(C)C)c3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.45
RIOK2 Q9BVS4 2/20 0.43
ATR Q13535 1/20 0.42
GCK P35557 1/20 0.41
FGFR1 P11362 5/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
GSK3A P49840 1/20 0.40
MAPK10 P53779 1/20 0.40
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
PTPN11 Q06124 1/20 0.39
BRAF P15056 4/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDR P35968 3/20 0.38
LCK P06239 2/20 0.38
FYN P06241 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL545876 0.90 P2RX3 (0.46) P2RX3RIOK2GCKFGFR1GSK3B
SCHEMBL546440 0.84 ALOX15 (0.41) P2RX3ALOX15HTTPTPN11BRAF
SCHEMBL29640073 0.81 ATR (0.53) ATRGSK3BDYRK1AALOX15HTT
SCHEMBL14359967 0.81 ATR (0.53) ATRGSK3BDYRK1AALOX15HTT
SCHEMBL10200809 0.81 BRAF (0.51) BRAFKDRLCKFYNPDGFRB
SCHEMBL25303717 0.81 GSK3B (0.54) ATRGSK3BDYRK1AALOX15HTT
SCHEMBL30381612 0.81 GSK3B (0.54) ATRGSK3BDYRK1AALOX15HTT
SCHEMBL17631521 0.81 GSK3B (0.59) ATRGSK3BDYRK1AALOX15HTT
SCHEMBL4739757 0.80 ALOX15 (0.39) DYRK1AALOX15HTTPTPN11CYP19A1
SCHEMBL10200762 0.78 KDR (0.54) FGFR1GSK3BBRAFKDRLCK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 P2RX3 1977/4885RIOK2 417/4885ATR 715/4885

“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.