SCHEMBL1904499

SCHEMBL1904499

Cn1c(N2CCC(O)C2)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.42
PTPN11 Q06124 6/20 0.36
ALOX5AP P20292 1/20 0.34
AADAT Q8N5Z0 1/20 0.33
EGFR P00533 1/20 0.33
PHGDH O43175 1/20 0.33
TNK2 Q07912 4/20 0.33
LCK P06239 1/20 0.33
WDR91 A4D1P6 1/20 0.33
TACR3 P29371 1/20 0.33
SYK P43405 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL1905949 0.95 AURKA (0.46) AURKAPTPN11AADATEGFRTNK2
SCHEMBL1904033 0.94 AURKA (0.37) AURKAPTPN11EGFRTNK2TACR3
SCHEMBL1902109 0.91 AKT1 (0.40) AURKAPTPN11AADATEGFRTNK2
SCHEMBL1902107 0.91 AKT1 (0.40) AURKAPTPN11AADATEGFRTNK2
SCHEMBL14120104 0.91 AKT1 (0.40) AURKAPTPN11AADATEGFRTNK2
SCHEMBL1902096 0.90 PTPN11 (0.39) AURKAPTPN11EGFRTNK2LCK
SCHEMBL14118768 0.87 AURKA (0.45) AURKAPTPN11ALOX5APSYK
SCHEMBL12677033 0.87 AURKA (0.45) AURKAPTPN11ALOX5APSYK
SCHEMBL12677073 0.87 AURKA (0.45) AURKAPTPN11ALOX5APSYK
SCHEMBL12677029 0.87 AURKA (0.47) AURKAPTPN11ALOX5APEGFRTNK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 AURKA 527/4885PTPN11 1410/4885ALOX5AP 4357/4885

“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.