SCHEMBL4062568

SCHEMBL4062568

CCn1c(CC#N)nc2cncc(Br)c21

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.47

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
SCHEMBL17437583 0.77 RPS6KA5 (0.55) RPS6KA5
SCHEMBL27191772 0.75 RPS6KA5 (0.57) RPS6KA5
SCHEMBL691782 0.74
SCHEMBL4718416 0.72 RPS6KA5 (0.49) RPS6KA5
SCHEMBL31470356 0.66 CSNK2A1 (0.36)
SCHEMBL14050028 0.66 RPS6KA5 (0.77) RPS6KA5
SCHEMBL16053930 0.64 RPS6KA5 (0.48) RPS6KA5
SCHEMBL4720745 0.64 RPS6KA5 (1.00) RPS6KA5
SCHEMBL4064280 0.63 RPS6KA5 (0.46) RPS6KA5
SCHEMBL31580070 0.62 SMN1; SMN2 (0.40) RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016038143-A1 MICROBIOCIDAL 4-(IMIDAZO[4,5-C]PYRIDIN-2-YL)-1,2,5-OXADIAZOL-3- AMINE COMPOUNDS HAVING AN OXIME GROUP IN POSITION 7 SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 WO disclosed
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
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
CN-1859912-A Inhibitors of Akt activity SMITHKLINE BEECHAM CORP (US) 2006-11-08 CN 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 RPS6KA5 156/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA RPS6KA5 82/4885

“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.