SCHEMBL1904033

SCHEMBL1904033

Cn1c(N2CC(O)C2)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.37
PTPN11 Q06124 8/20 0.35
TACR3 P29371 2/20 0.33
PDE2A O00408 1/20 0.33
TNK2 Q07912 2/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDR P35968 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CHEK1 O14757 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
SCHEMBL1904499 0.94 AURKA (0.42) AURKAPTPN11TACR3TNK2EGFR
SCHEMBL1905949 0.92 AURKA (0.46) AURKAPTPN11TACR3TNK2EGFR
SCHEMBL1902096 0.91 PTPN11 (0.39) AURKAPTPN11TNK2EGFRALDH1A1
SCHEMBL1905473 0.90 AKT1 (0.41) AURKAPTPN11PDE2ATNK2EGFR
SCHEMBL14120192 0.88 CHEK1 (0.37) AURKATACR3PDE2ATNK2EGFR
SCHEMBL1900318 0.86 FAP (0.34) AURKAPTPN11PDE2ATNK2KDR
SCHEMBL1906707 0.86 AKT1 (0.40) AURKAPTPN11
SCHEMBL1902450 0.85 ALDH1A1 (0.35) AURKATACR3PDE2ATNK2ALDH1A1
SCHEMBL1904734 0.85 ALDH1A1 (0.36) AURKATACR3PDE2ATNK2ALDH1A1
SCHEMBL1902107 0.85 AKT1 (0.40) AURKAPTPN11TNK2EGFR

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 1410/4885TACR3 3761/4885

“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.