SCHEMBL3332467

SCHEMBL3332467

Cn1nccc1-c1cccc(C(=O)NC(CN)Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.60
CTSV O60911 1/20 0.60
CTSB P07858 1/20 0.60
CTSS P25774 1/20 0.60
HPGDS O60760 1/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
HDAC8 Q9BY41 6/20 0.46
TACR2 P21452 1/20 0.46
MME P08473 1/20 0.45
MMEL1 Q495T6 1/20 0.45
CTSD P07339 1/20 0.45
AGTR2 P50052 1/20 0.44

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
SCHEMBL3329027 0.89 CTSB (0.53) CTSLCTSVCTSBCTSSROCK2
SCHEMBL3334470 0.88 CTSL (0.49) CTSLCTSVCTSBCTSSROCK2
SCHEMBL3332502 0.87 CTSV (0.49) CTSLCTSVCTSBCTSSROCK2
SCHEMBL3329863 0.87 CTSL (0.48) CTSLCTSVCTSBCTSSROCK2
SCHEMBL3331424 0.86 HDAC8 (0.48) CTSLCTSVCTSBCTSSROCK2
SCHEMBL3338346 0.85 ROCK2 (0.52) CTSLCTSVCTSBCTSSHPGDS
SCHEMBL3334672 0.84 ROCK2 (0.51) CTSLCTSVCTSBCTSSROCK2
SCHEMBL3330944 0.83 P2RX7 (0.51) CTSLCTSVCTSBCTSSROCK2
SCHEMBL3332925 0.83 ROCK2 (0.49) CTSLCTSVCTSBCTSSROCK2
SCHEMBL3331941 0.83 ROCK2 (0.48) CTSLCTSVCTSBCTSSROCK2

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-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US claimed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 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-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 CTSL 1703/4885CTSV 2192/4885CTSB 1001/4885

“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.