Sugi Predict

Sugi Predict / Compounds / SCHEMBL4065699

SCHEMBL4065699

SCHEMBL4065699

Nc1nonc1-c1nc2c(-c3cccc(Cl)c3)ncc(C(=O)NCCNCc3ccccc3)c2n1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC2A1 P11166 1/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ RPS6KB1 P23443 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ RPS6KA5 O75582 3/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ AKT2 P31751 1/20 0.38
▸ AKT3 Q9Y243 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ RPS6KA1 Q15418 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36

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
Trifluoroacetic Acid SCHEMBL5066248 0.96 SLC2A1 (0.45) KDM4EKMT2ASLC2A1ROCK1PRKACA
SCHEMBL5597324 0.91 KDM4E (0.39) KDM4EKMT2ATP53MAPTSMN1; SMN2
SCHEMBL4070786 0.86 SLC2A1 (0.39) SLC2A1ROCK1PRKACARPS6KB1GSK3B
SCHEMBL4067994 0.80 AKT1 (0.50) KDM4EKMT2ASLC2A1ROCK1RPS6KA5
SCHEMBL4072215 0.79 SLC2A1 (0.56) SLC2A1ROCK1PRKACARPS6KB1GSK3B
SCHEMBL4071929 0.75 RPS6KA5 (0.55) SLC2A1ROCK1RPS6KA5AKT1AKT2
SCHEMBL4065044 0.75 AKT1 (0.58) SLC2A1ROCK1PRKACARPS6KB1GSK3B
SCHEMBL4065048 0.74 RPS6KA5 (0.47) SLC2A1ROCK1PRKACAGSK3BRPS6KA5
Trifluoroacetic Acid SCHEMBL5063614 0.73 AKT1 (0.54) SLC2A1ROCK1PRKACARPS6KB1GSK3B
SCHEMBL5066259 0.73 KDM4E (0.38) KDM4EKMT2ATP53MAPTSMN1; SMN2

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
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 — — US 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
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 — — US disclosed
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 — — EP disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 — — EP disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 — — WO 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 (2 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 KDM4E 2078/4885KMT2A 1852/4885SLC2A1 3039/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA KDM4E 1693/4885KMT2A 826/4885SLC2A1 3298/4885

“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.