SCHEMBL12679656

SCHEMBL12679656

Cc1c(-c2ccnn2C)csc1C(=O)NC(CNC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
SYK P43405 1/20 0.42
APP P05067 3/20 0.40
AKT1 P31749 1/20 0.39
CTSS P25774 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSK P43235 1/20 0.39
PRKCI P41743 1/20 0.37
SCN9A Q15858 1/20 0.37
CCKAR P32238 1/20 0.37
CCKBR P32239 1/20 0.37
HDAC8 Q9BY41 3/20 0.37
PTPRB P23467 2/20 0.37
CYP3A4 P08684 2/20 0.37
CTSV O60911 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL14114876 0.92 ATM (0.44) ATMSYKAPPAKT1CTSS
SCHEMBL12679280 0.90 ATM (0.43) ATMSYKAPPAKT1CTSS
SCHEMBL12767695 0.83 ATM (0.44) ATMSYKAPPAKT1CTSS
SCHEMBL13577915 0.83 ATM (0.44) ATMSYKAPPAKT1CTSS
SCHEMBL1529414 0.83 HDAC8 (0.42) AKT1CTSSCTSLCTSBPRKCI
SCHEMBL1530008 0.81 HDAC8 (0.38) CTSSCTSLCTSBPRKCIHDAC8
SCHEMBL13300074 0.81 ATM (0.43) ATMSYKAPPAKT1CTSS
SCHEMBL12679237 0.81 ATM (0.43) ATMSYKAPPAKT1CTSS
SCHEMBL13300010 0.80 ATM (0.46) ATMSYKAPPAKT1CTSS
SCHEMBL13300017 0.80 ATM (0.42) ATMSYKAPPAKT1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 US disclosed
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY NOVARTIS AG (CH) 2015-06-04 US disclosed
US-8946278-B2 Inhibitors of AkT activity GLAXOSMITHKLINE LLC (US) 2015-02-03 US disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-20110071182-A1 Inhibitors of AKT Activity SMITHKLINE BEECHAM CORPORATION 2011-03-24 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US 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 (7 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-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20110071182-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885

“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.