SCHEMBL1905949

SCHEMBL1905949

Cn1c(N2CCC(O)CC2)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
PTPN11 Q06124 12/20 0.39
MAT2A P31153 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
TACR1 P25103 1/20 0.34
KCNH2 Q12809 1/20 0.34
EGFR P00533 1/20 0.34
TNK2 Q07912 2/20 0.33
TACR3 P29371 1/20 0.33
LCK P06239 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
SCHEMBL1904499 0.95 AURKA (0.42) AURKAPTPN11AADATEGFRTNK2
SCHEMBL1902096 0.93 PTPN11 (0.39) AURKAPTPN11MAT2AEGFRTNK2
SCHEMBL12677029 0.92 AURKA (0.47) AURKAPTPN11MAT2AEGFRTNK2
SCHEMBL1904033 0.92 AURKA (0.37) AURKAPTPN11EGFRTNK2TACR3
SCHEMBL14235581 0.91 AURKA (0.46) AURKAPTPN11MAT2AEGFRTNK2
SCHEMBL14119006 0.91 AURKA (0.42) AURKAPTPN11AADATTACR1KCNH2
SCHEMBL12095314 0.86 AURKA (0.48) AURKAPTPN11
SCHEMBL1900318 0.86 FAP (0.34) AURKAPTPN11TNK2LCK
SCHEMBL1902107 0.86 AKT1 (0.40) AURKAPTPN11AADATEGFRTNK2
SCHEMBL1902109 0.86 AKT1 (0.40) AURKAPTPN11AADATEGFRTNK2

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 1410/4885MAT2A 2557/4885

“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.