SCHEMBL3330944

SCHEMBL3330944

Cn1nccc1-c1ccc(Cl)c(C(=O)NC(CN)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
HDAC8 Q9BY41 6/20 0.47
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 4/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
AKT1 P31749 3/20 0.45
AKT2 P31751 3/20 0.45
AKT3 Q9Y243 3/20 0.45
LRRK2 Q5S007 1/20 0.45
PRKACA P17612 3/20 0.43
PRKCB P05771 2/20 0.43
PRKCA P17252 2/20 0.43
PRKACB P22694 2/20 0.43
PKN1 Q16512 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43
CIT O14578 1/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL3332925 0.92 ROCK2 (0.49) P2RX7HDAC8ROCK2ROCK1CTSV
SCHEMBL3332502 0.85 CTSV (0.49) HDAC8ROCK2ROCK1CTSVCTSL
SCHEMBL3329027 0.84 CTSB (0.53) HDAC8ROCK2ROCK1CTSVCTSL
SCHEMBL3332467 0.83 CTSL (0.60) HDAC8ROCK2ROCK1CTSVCTSL
SCHEMBL3331424 0.83 HDAC8 (0.48) HDAC8ROCK2ROCK1CTSVCTSL
SCHEMBL3331941 0.83 ROCK2 (0.48) HDAC8ROCK2ROCK1CTSVCTSL
SCHEMBL3329890 0.82 HDAC8 (0.47) HDAC8ROCK2ROCK1CTSVCTSL
SCHEMBL3329868 0.81 ROCK2 (0.50) HDAC8ROCK2ROCK1CTSVCTSL
SCHEMBL1529590 0.80 HDAC8 (0.46) HDAC8ROCK2ROCK1CTSVCTSL
SCHEMBL3507832 0.80 CTSV (0.46) HDAC8ROCK2ROCK1CTSVCTSL

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 P2RX7 2076/4885HDAC8 382/4885ROCK2 505/4885

“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.