SCHEMBL5327155

SCHEMBL5327155

COc1ccc2c(c1)cc(-c1ccc([N+](=O)[O-])c3c1C(=O)NC3)n2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.42
ATRIP Q8WXE1 2/20 0.42
NR1H2 P55055 8/20 0.41
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ROCK2 O75116 2/20 0.33
MAPT P10636 3/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
KDR P35968 1/20 0.32
MAP3K9 P80192 1/20 0.32
MAP3K10 Q02779 1/20 0.32
MAP3K11 Q16584 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL5456097 0.89 ALDH1A1 (0.37) ROCK2MAPTALDH1A1KDM4ENTRK1
SCHEMBL5332483 0.88 NR1H2 (0.38) ATRATRIPNR1H2BRD4CREBBP
SCHEMBL5333314 0.81 KDR (0.52) ATRATRIPNR1H2BRD4CREBBP
SCHEMBL5327142 0.80 NR1H2 (0.51) ATRATRIPNR1H2BRD4CREBBP
SCHEMBL903507 0.79 NR1H2 (0.44) ATRATRIPNR1H2MAPTALDH1A1
SCHEMBL3037160 0.76 ATR (0.40) ATRATRIPNR1H2BRD4CREBBP
SCHEMBL5460923 0.76 AURKA (0.41) MAPTKDRTDP1
SCHEMBL3044666 0.76 KDM4E (0.37) MAPTALDH1A1KDM4ETDP1
SCHEMBL3043650 0.76 BRD4 (0.38) ATRATRIPNR1H2BRD4CREBBP
SCHEMBL14448349 0.75 NR1H2 (0.44) ATRATRIPNR1H2BRD4CREBBP

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 7 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
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 ATR 1051/4885ATRIP 1737/4885NR1H2 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.