SCHEMBL4069078

SCHEMBL4069078

CCOC(=O)c1cnc(-c2ccccc2)c2nc(-c3nonc3NC(=O)OC(C)(C)C)n(CC)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 3/20 0.46
AKT1 P31749 1/20 0.46
RPS6KA1 Q15418 1/20 0.46
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 3/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 3/20 0.38

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
SCHEMBL5067678 0.94 RPS6KA5 (0.47) RPS6KA5AKT1RPS6KA1MAPTSMN1; SMN2
SCHEMBL14031568 0.89 RPS6KA5 (0.47) RPS6KA5AKT1RPS6KA1MAPTSMN1; SMN2
SCHEMBL5058547 0.83 CKS1B (0.50) RPS6KA5AKT1RPS6KA1MAPTSMN1; SMN2
SCHEMBL4073188 0.82 RPS6KA5 (0.66) RPS6KA5AKT1RPS6KA1MAPTSMN1; SMN2
SCHEMBL4070921 0.81 SMN1; SMN2 (0.39) RPS6KA5AKT1RPS6KA1MAPTSMN1; SMN2
SCHEMBL14031474 0.80 AKT1 (0.45) RPS6KA5AKT1RPS6KA1MAPTSMN1; SMN2
SCHEMBL4389658 0.78 HTT (0.41) RPS6KA5AKT1RPS6KA1MAPTSMN1; SMN2
SCHEMBL14031597 0.77 SLC2A1 (0.52) RPS6KA5AKT1RPS6KA1MAPTTP53
SCHEMBL5597414 0.76 TP53 (0.41) ALDH1A1TP53KDM4EHTTCKS1B
SCHEMBL14031559 0.76 SLC2A1 (0.43) RPS6KA5AKT1RPS6KA1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 RPS6KA5 156/4885AKT1 5/4885RPS6KA1 127/4885

“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.