SCHEMBL5329167

SCHEMBL5329167

C1CC2CN2C1.CCOc1ccc2c(c1)cc(-c1cccc3c1C(=O)NC3)n2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.39
KDR P35968 8/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
NR1H2 P55055 4/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL5315294 0.81 AURKA (0.59) AURKAKDRNR1H2HRH3
SCHEMBL5333314 0.81 KDR (0.52) AURKAKDRBRD4CREBBPNR1H2
SCHEMBL5328430 0.81 AURKA (0.55) AURKAKDRBRD4CREBBPNR1H2
SCHEMBL5335112 0.79 AURKA (0.60) AURKAKDRBRD4CREBBPNR1H2
SCHEMBL5327530 0.78 AURKA (0.48) AURKAKDRBRD4CREBBPNR1H2
SCHEMBL5330620 0.77 BRD4 (0.55) BRD4CREBBPNR1H2
SCHEMBL3043809 0.77 NR1H2 (0.41) AURKAKDRBRD4CREBBPNR1H2
SCHEMBL5334220 0.73 AURKA (0.46) AURKAKDRBRD4CREBBPNR1H2
SCHEMBL5327142 0.72 NR1H2 (0.51) AURKAKDRBRD4CREBBPNR1H2
SCHEMBL3858581 0.71 NR1H2 (0.40) AURKAKDRBRD4CREBBPNR1H2

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 claimed
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 1627/4885BRD4 986/4885

“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.