SCHEMBL5315294

SCHEMBL5315294

CC(C)(C)OC(=O)n1c(-c2cccc3c2C(=O)NC3)cc2cc(OCCN3CCCCC3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.59
KDR P35968 6/20 0.59
HRH3 Q9Y5N1 5/20 0.44
NR1H2 P55055 1/20 0.42
PDGFRB P09619 2/20 0.39
FLT3 P36888 1/20 0.39
PDGFRA P16234 1/20 0.39
DRD2 P14416 4/20 0.38
HTR2A P28223 4/20 0.38
HTR1A P08908 3/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5335112 0.92 AURKA (0.60) AURKAKDRNR1H2PDGFRBPDGFRA
SCHEMBL3043950 0.86 HRH3 (0.43) AURKAKDRHRH3NR1H2PDGFRB
SCHEMBL3043809 0.86 NR1H2 (0.41) AURKAKDRNR1H2
SCHEMBL5333314 0.84 KDR (0.52) AURKAKDRNR1H2
SCHEMBL3044711 0.84 HRH3 (0.42) AURKAKDRHRH3NR1H2PDGFRB
SCHEMBL5328430 0.84 AURKA (0.55) AURKAKDRNR1H2
SCHEMBL5329167 0.81 AURKA (0.39) AURKAKDRHRH3NR1H2
SCHEMBL5327530 0.81 AURKA (0.48) AURKAKDRNR1H2
SCHEMBL5330620 0.80 BRD4 (0.55) NR1H2
SCHEMBL3047575 0.79 ATR (0.44) AURKAKDRNR1H2PDGFRBPDGFRA

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-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US claimed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 WO claimed
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
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 1627/4885HRH3 1421/4885

“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.