SCHEMBL5331995

SCHEMBL5331995

CC(C)(C)OC(=O)n1c(-c2cc(O[Si](C)(C)C(C)(C)C)cc3c2C(=O)NC3)cc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
NR1H2 P55055 15/20 0.40
SRD5A2 P31213 1/20 0.39
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
GHSR Q92847 1/20 0.37
NR1H3 Q13133 2/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL5334220 0.89 AURKA (0.46) AURKAKDRNR1H2SRD5A2GHSR
SCHEMBL5328430 0.86 AURKA (0.55) AURKAKDRNR1H2SRD5A2GHSR
SCHEMBL5327142 0.79 NR1H2 (0.51) AURKAKDRNR1H2ATRATRIP
SCHEMBL5463892 0.78 AURKA (0.51) AURKAKDRSRD5A2
SCHEMBL5332483 0.77 NR1H2 (0.38) AURKAKDRNR1H2SRD5A2ATR
SCHEMBL3037160 0.77 ATR (0.40) NR1H2ATRATRIPBRD4CREBBP
SCHEMBL3920246 0.76 NR1H2 (0.41) NR1H2SRD5A2NR1H3
SCHEMBL3840220 0.75 ATR (0.35) AURKAKDRNR1H2ATRATRIP
SCHEMBL3858581 0.75 NR1H2 (0.40) AURKAKDRNR1H2ATRATRIP
SCHEMBL3834957 0.74 ATR (0.38) NR1H2ATRATRIPNR1H3BRD4

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-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US disclosed
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US disclosed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 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-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders MAP3K20, MAP3K3, MAP3K19 AURKA 669/4885KDR 1627/4885NR1H2 640/4885

“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.