SCHEMBL4067994

SCHEMBL4067994

NCCCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NCCNCc3ccccc3)c21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.50
RPS6KA5 O75582 6/20 0.50
RPS6KA1 Q15418 4/20 0.50
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 1/20 0.46
ROCK1 Q13464 6/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
THRB P10828 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
SLC2A1 P11166 1/20 0.35

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
SCHEMBL4065699 0.80 KDM4E (0.41) AKT1RPS6KA5RPS6KA1KDM4EKMT2A
SCHEMBL4236722 0.78 AKT1 (0.54) AKT1RPS6KA5RPS6KA1ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5066248 0.77 SLC2A1 (0.45) AKT1RPS6KA5RPS6KA1KDM4EKMT2A
SCHEMBL4066084 0.77 RPS6KA5 (0.57) AKT1RPS6KA5RPS6KA1ROCK1AKT2
SCHEMBL4061014 0.76 AKT1 (0.56) AKT1RPS6KA5RPS6KA1ROCK1AKT2
Hydrochloric Acid SCHEMBL5066396 0.76 RPS6KA5 (0.56) AKT1RPS6KA5RPS6KA1ROCK1AKT2
SCHEMBL4239782 0.76 SLC2A1 (0.59) AKT1RPS6KA5RPS6KA1KDM4EROCK1
SCHEMBL4065504 0.76 AKT1 (0.54) AKT1RPS6KA5RPS6KA1KDM4EROCK1
SCHEMBL4066999 0.76 RPS6KA5 (0.53) AKT1RPS6KA5RPS6KA1KDM4EROCK1
SCHEMBL4243088 0.75 SLC2A1 (0.51) AKT1RPS6KA5RPS6KA1ROCK1AKT2

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 8 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 claimed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US claimed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
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 AKT1 5/4885RPS6KA5 156/4885RPS6KA1 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.