SCHEMBL4659759

SCHEMBL4659759

Cc1n[nH]c2ccc(-c3cc(NC(=O)[C@@H](N)Cc4ccccc4)cnc3-c3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 6/20 0.57
CDK2 P24941 5/20 0.57
AKT1 P31749 5/20 0.46
ROCK1 Q13464 4/20 0.45
ROCK2 O75116 1/20 0.45
CIT O14578 1/20 0.45
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44
FGFR3 P22607 2/20 0.44
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
GPR142 Q7Z601 2/20 0.41

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
SCHEMBL4659680 0.92 CDK2 (0.54) CDK7CDK2AKT1ROCK1ROCK2
SCHEMBL4658449 0.91 CDK2 (0.52) CDK7CDK2AKT1ROCK1ROCK2
SCHEMBL4658636 0.90 CDK7 (0.53) CDK7CDK2AKT1ROCK1ROCK2
SCHEMBL5475633 0.85 FGFR1 (0.49) CDK7CDK2AKT1ROCK1FGFR1
SCHEMBL7068318 0.85 CDK7 (0.76) CDK7CDK2AKT1WNT1DYRK1A
SCHEMBL6853364 0.85 CDK7 (0.76) CDK7CDK2AKT1WNT1DYRK1A
SCHEMBL4722256 0.83 AKT1 (0.54) CDK2AKT1ROCK1FGFR1FGFR2
SCHEMBL4722252 0.83 AKT1 (0.54) CDK2AKT1ROCK1FGFR1FGFR2
SCHEMBL5478945 0.78 FGFR2 (0.51) AKT1ROCK1FGFR1FGFR2FGFR3
SCHEMBL5467086 0.78 FGFR1 (0.52) AKT1ROCK1FGFR1FGFR2FGFR3

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 CDK7 118/4885CDK2 44/4885AKT1 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.