SCHEMBL5456619

SCHEMBL5456619

CCN1CCN(CCCOc2ccc3[nH]c(-c4cccc5c4C(=O)NC5)cc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 1.00
AURKA O14965 10/20 1.00
CDK1 P06493 1/20 0.54
DRD2 P14416 6/20 0.47
HTR2A P28223 6/20 0.47
HTR1A P08908 5/20 0.47
KCNH2 Q12809 4/20 0.47
SLC6A4 P31645 1/20 0.45

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
SCHEMBL5328153 0.91 KDR (1.00) KDRAURKACDK1DRD2HTR2A
SCHEMBL14468698 0.88 KDR (0.83) KDRAURKACDK1DRD2HTR2A
SCHEMBL5327067 0.86 KDR (1.00) KDRAURKACDK1
SCHEMBL5329621 0.86 KDR (0.85) KDRAURKACDK1DRD2HTR2A
SCHEMBL5331815 0.85 KDR (1.00) KDRAURKACDK1
SCHEMBL5327042 0.83 KDR (1.00) KDRAURKACDK1DRD2HTR2A
SCHEMBL5314912 0.79 KDR (1.00) KDRAURKACDK1
SCHEMBL5312152 0.78 AURKA (1.00) KDRAURKACDK1
SCHEMBL5079401 0.75 KDR (0.75) KDRAURKADRD2
SCHEMBL15520163 0.72 KDR (0.56) KDRAURKA

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 4 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
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 KDR 1627/4885AURKA 669/4885CDK1 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.