SCHEMBL4658449

SCHEMBL4658449

Cc1n[nH]c2ccc(-c3cc(NC(=O)[C@@H](N)Cc4ccccc4)cnc3-c3ccoc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.52
CDK7 P50613 3/20 0.52
AKT1 P31749 6/20 0.51
ROCK1 Q13464 3/20 0.51
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
CSNK1E P49674 1/20 0.51
MAPK14 Q16539 1/20 0.51
FGFR1 P11362 1/20 0.49
CLK2 P49760 2/20 0.44
CLK3 P49761 2/20 0.44
DYRK1A Q13627 2/20 0.44
WNT1 P04628 1/20 0.43
CIT O14578 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AKT2 P31751 1/20 0.42

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
SCHEMBL4659759 0.91 CDK7 (0.57) CDK2CDK7AKT1ROCK1FGFR1
SCHEMBL4659680 0.87 CDK2 (0.54) CDK2CDK7AKT1ROCK1FGFR1
SCHEMBL5467086 0.86 FGFR1 (0.52) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4658636 0.85 CDK7 (0.53) CDK2CDK7AKT1ROCK1FGFR1
SCHEMBL14430164 0.85 AKT1 (0.44) CDK2CDK7AKT1ROCK1CSNK1A1
SCHEMBL5474545 0.85 AKT1 (0.56) CDK2AKT1ROCK1CSNK1A1CSNK1D
SCHEMBL4791666 0.85 AKT1 (0.56) CDK2AKT1ROCK1CSNK1A1CSNK1D
SCHEMBL6853364 0.80 CDK7 (0.76) CDK2CDK7AKT1CLK2CLK3
SCHEMBL7068318 0.80 CDK7 (0.76) CDK2CDK7AKT1CLK2CLK3
SCHEMBL4725006 0.80 AKT1 (0.58) AKT1ROCK1CSNK1A1CSNK1DCSNK1E

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
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP claimed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US claimed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP claimed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO claimed
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 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-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 CDK2 44/4885CDK7 118/4885AKT1 1/4885

“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.