SCHEMBL5458820

SCHEMBL5458820

COc1cc2c(c(-c3cc4cc(OC)ccc4n3C(=O)O)c1)C(=O)NC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
AURKA O14965 2/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H2 P55055 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
MAP3K9 P80192 2/20 0.35
MAP3K11 Q16584 2/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
MAP3K10 Q02779 1/20 0.35

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
SCHEMBL5335201 0.89 KDR (0.56) KDRAURKAALDH1A1KDM4EHPGD
SCHEMBL5327142 0.87 NR1H2 (0.51) KDRAURKANR1H2
SCHEMBL5456097 0.78 ALDH1A1 (0.37) KDRAURKAALDH1A1KDM4EHPGD
SCHEMBL5463892 0.78 AURKA (0.51) KDRAURKAALDH1A1KDM4EHPGD
SCHEMBL5333314 0.77 KDR (0.52) KDRAURKANR1H2
SCHEMBL5459321 0.75 KDM4E (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL5329803 0.71 KDR (0.77) KDRAURKAALDH1A1KDM4E
SCHEMBL5334220 0.70 AURKA (0.46) KDRAURKANR1H2
SCHEMBL5331995 0.69 AURKA (0.42) KDRAURKANR1H2
SCHEMBL5327155 0.67 ATR (0.42) KDRALDH1A1KDM4ENR1H2MAP3K9

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 1 patent. 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

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 669/4885ALDH1A1 2086/4885

“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.