SCHEMBL1901016

SCHEMBL1901016

NC(=O)c1ccc2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.51
AKT2 P31751 12/20 0.48
IP6K1 Q92551 1/20 0.44

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
SCHEMBL1534347 0.93 AKT1 (0.48) AKT1AKT2IP6K1
SCHEMBL1904736 0.91 AKT1 (0.51) AKT1AKT2IP6K1
SCHEMBL1899363 0.88 AKT1 (0.43) AKT1AKT2
SCHEMBL14118761 0.85 IP6K1 (0.41) AKT1AKT2IP6K1
Carbamic Acid SCHEMBL1908497 0.81 IP6K1 (0.37) AKT1AKT2IP6K1
SCHEMBL1905065 0.80 AKT1 (0.48) AKT1AKT2
SCHEMBL1908498 0.78 IP6K1 (0.35) AKT1AKT2IP6K1
SCHEMBL1901170 0.77 IP6K1 (0.43) AKT1AKT2IP6K1
SCHEMBL14119098 0.77 IP6K1 (0.43) AKT1AKT2IP6K1
SCHEMBL1534675 0.77 MAPK14 (0.47) AKT1AKT2

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 7 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 claimed
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
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
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 AKT1 1/4885AKT2 2/4885IP6K1 138/4885

“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.