SCHEMBL5333314

SCHEMBL5333314

COc1ccc2c(c1)cc(-c1cccc3c1C(=O)NC3)n2C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
AURKA O14965 6/20 0.52
NR1H2 P55055 8/20 0.48
ATR Q13535 1/20 0.45
ATRIP Q8WXE1 1/20 0.45
BRD4 O60885 2/20 0.43
CREBBP Q92793 2/20 0.43
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5327142 0.90 NR1H2 (0.51) KDRAURKANR1H2ATRATRIP
SCHEMBL5327530 0.89 AURKA (0.48) KDRAURKANR1H2BRD4CREBBP
SCHEMBL5330620 0.88 BRD4 (0.55) NR1H2BRD4CREBBPCA12CA9
SCHEMBL5335201 0.88 KDR (0.56) KDRAURKABRD4CREBBP
SCHEMBL5328430 0.87 AURKA (0.55) KDRAURKANR1H2BRD4CREBBP
SCHEMBL5332121 0.85 NR1H2 (0.47) NR1H2ATRATRIPBRD4CREBBP
SCHEMBL5315294 0.84 AURKA (0.59) KDRAURKANR1H2
SCHEMBL5335112 0.83 AURKA (0.60) KDRAURKANR1H2ATRATRIP
SCHEMBL3043809 0.82 NR1H2 (0.41) KDRAURKANR1H2BRD4CREBBP
SCHEMBL5329167 0.81 AURKA (0.39) KDRAURKANR1H2ATRATRIP

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
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 KDR 1627/4885AURKA 669/4885NR1H2 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.