SCHEMBL5328900

SCHEMBL5328900

O=C1NCc2cccc(-c3ccc[nH]3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 1.00
KDR P35968 12/20 1.00
CDK1 P06493 1/20 0.52
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
PARP1 P09874 3/20 0.47
MAP3K9 P80192 1/20 0.43
MAP3K11 Q16584 1/20 0.43
CDK2 P24941 1/20 0.41
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39

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
SCHEMBL30775288 0.76 KDR (0.61) AURKAKDRCA12CA9PARP1
SCHEMBL30775231 0.76 AURKA (0.61) AURKAKDRCDK1CA12CA9
SCHEMBL14352446 0.73 AURKA (0.58) AURKAKDRCDK1CA12CA9
SCHEMBL5330376 0.73 AURKA (0.57) AURKAKDRPARP1CDK2
SCHEMBL3836057 0.73 AURKA (0.57) AURKAKDRCDK1CA12CA9
SCHEMBL5333071 0.73 KDR (1.00) AURKAKDRCDK1CA12CA9
SCHEMBL2027473 0.73 TDP2 (0.58) AURKAKDRCDK1CA12CA9
SCHEMBL3046612 0.73 AURKA (0.57) AURKAKDRCDK1CA12CA9
Hydrochloric Acid SCHEMBL3837341 0.72 AURKA (0.56) AURKAKDRCDK1CA12CA9
SCHEMBL3836059 0.71 AURKA (0.54) AURKAKDRCDK2

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 AURKA 669/4885KDR 1627/4885CDK1 106/4885

“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.