SCHEMBL4070921

SCHEMBL4070921

CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(Cl)ncc(C(=O)O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
RPS6KA5 O75582 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 5/20 0.36
HTT P42858 5/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 4/20 0.36
HSD17B10 Q99714 3/20 0.36
SLC2A1 P11166 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
AKT1 P31749 3/20 0.34
ROCK1 Q13464 3/20 0.34

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
SCHEMBL14031396 0.89 RPS6KA5 (0.40) SMN1; SMN2MAPTRPS6KA5CYP1A2CYP3A4
SCHEMBL5062965 0.89 RPS6KA5 (0.40) SMN1; SMN2MAPTRPS6KA5CYP1A2CYP3A4
SCHEMBL5067678 0.87 RPS6KA5 (0.47) SMN1; SMN2MAPTRPS6KA5CYP1A2CYP3A4
SCHEMBL14031596 0.83 MERTK (0.41) RPS6KA5SLC2A1AKT1ROCK1RPS6KA1
SCHEMBL4069036 0.82 AKT1 (0.40) SMN1; SMN2MAPTRPS6KA5CYP1A2CYP3A4
SCHEMBL4069078 0.81 RPS6KA5 (0.46) SMN1; SMN2MAPTRPS6KA5CYP1A2CYP3A4
SCHEMBL14031476 0.80 AKT1 (0.42) SMN1; SMN2LMNAALDH1A1SLC2A1NPSR1
SCHEMBL14031568 0.78 RPS6KA5 (0.47) SMN1; SMN2MAPTRPS6KA5CYP1A2CYP3A4
SCHEMBL5597414 0.77 TP53 (0.41) KDM4EHTTALDH1A1TSHRHSD17B10
SCHEMBL4249727 0.75 RPS6KA5 (0.51) SMN1; SMN2MAPTRPS6KA5CYP1A2CYP3A4

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 5 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
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 SMN1; SMN2 3299/4885MAPT 3969/4885RPS6KA5 156/4885

“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.