SCHEMBL3329863

SCHEMBL3329863

Cn1nccc1-c1cc(C(=O)NC(CN)Cc2ccccc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSV O60911 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
HDAC8 Q9BY41 5/20 0.47
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
CTRB1 P17538 1/20 0.43
ECE1 P42892 1/20 0.42
KDM5B Q9UGL1 3/20 0.41
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
AKT1 P31749 4/20 0.41
AKT2 P31751 4/20 0.41
AKT3 Q9Y243 4/20 0.41
KDM4E B2RXH2 1/20 0.40
KDM5C P41229 1/20 0.40

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
SCHEMBL3332467 0.87 CTSL (0.60) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3332461 0.86 HPGDS (0.49) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3338346 0.84 ROCK2 (0.52) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3329027 0.83 CTSB (0.53) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3334672 0.83 ROCK2 (0.51) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3331424 0.83 HDAC8 (0.48) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3333710 0.82 ROCK2 (0.50) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3329753 0.82 ROCK2 (0.50) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3331941 0.82 ROCK2 (0.48) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3329868 0.82 ROCK2 (0.50) CTSLCTSVCTSBCTSSHDAC8

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.