SCHEMBL5498533

SCHEMBL5498533

COc1cc(C(=O)Nc2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.64
KDR P35968 7/20 0.64
JAK3 P52333 7/20 0.64
MAPK14 Q16539 7/20 0.64
TEK Q02763 3/20 0.64
BRAF P15056 1/20 0.52
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
HPGD P15428 1/20 0.47
PRNP P04156 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5503786 0.89 LCK (0.66) LCKKDRJAK3MAPK14TEK
SCHEMBL14568117 0.88 SMN1; SMN2 (0.50) LCKKDRJAK3MAPK14TEK
SCHEMBL5500366 0.85 LCK (0.68) LCKKDRJAK3MAPK14TEK
SCHEMBL5490661 0.84 LCK (0.73) LCKKDRJAK3MAPK14TEK
SCHEMBL5499129 0.84 LCK (0.76) LCKKDRJAK3MAPK14TEK
SCHEMBL5501694 0.84 LCK (0.71) LCKKDRJAK3MAPK14TEK
SCHEMBL5501170 0.83 LCK (0.74) LCKKDRJAK3MAPK14TEK
SCHEMBL5489777 0.83 LCK (0.71) LCKKDRJAK3MAPK14TEK
SCHEMBL5500876 0.82 LCK (0.85) LCKKDRJAK3MAPK14TEK
SCHEMBL5504079 0.82 LCK (0.73) LCKKDRJAK3MAPK14TEK

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LCK 106/4885KDR 1044/4885JAK3 60/4885

“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.