SCHEMBL5311516

SCHEMBL5311516

O=C1NCc2cc(O)cc(Br)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.37
KDR P35968 4/20 0.37
CDK1 P06493 1/20 0.37
MB P02144 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ROCK2 O75116 4/20 0.34
CLK4 Q9HAZ1 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
NTRK2 Q16620 2/20 0.33
PIM1 P11309 2/20 0.33
ROCK1 Q13464 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL30068982 0.83 KDR (0.41) AURKAKDRCLK4DYRK1BNTRK2
SCHEMBL25302444 0.83 KDR (0.41) AURKAKDRCLK4DYRK1BNTRK2
SCHEMBL3835742 0.81 AURKA (0.37) AURKAKDRCDK1MBROCK2
SCHEMBL29987052 0.78 MKNK2 (0.41) AURKAKDRCDK1MBESR1
SCHEMBL24667786 0.78 MKNK2 (0.41) AURKAKDRCDK1MBESR1
SCHEMBL23089173 0.78 GRM5 (0.37) AURKAKDRCLK4DYRK1BNTRK2
SCHEMBL5310514 0.75 PDE3B (0.44) AURKAKDRROCK2GSK3BPIK3CD
SCHEMBL14978271 0.74 AURKA (0.34) AURKAKDRCDK1ROCK2CLK4
SCHEMBL1334392 0.70 CLK4 (0.53) AURKAKDRESR1ESR2ROCK2
SCHEMBL12951697 0.70 KDR (0.37) AURKAKDRCLK4DYRK1BNTRK2

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 5 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 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.