SCHEMBL4658766

SCHEMBL4658766

Cc1n[nH]c2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3cccc(NC(=O)c4ccccc4)c3)cc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 6/20 0.60
CDK2 P24941 5/20 0.60
AKT1 P31749 14/20 0.58
ROCK1 Q13464 8/20 0.55
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
CSNK1E P49674 1/20 0.51
MAPK14 Q16539 1/20 0.51

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
SCHEMBL4658769 1.00 CDK7 (0.60) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4659539 0.93 AKT1 (0.60) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4659538 0.93 AKT1 (0.60) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4659620 0.92 AKT1 (0.56) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4659618 0.92 AKT1 (0.56) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4659679 0.89 AKT1 (0.62) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4723932 0.89 AKT1 (0.62) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4659677 0.89 AKT1 (0.62) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4723929 0.89 AKT1 (0.62) CDK7CDK2AKT1ROCK1CSNK1A1
SCHEMBL4658561 0.88 AKT1 (0.55) CDK7CDK2AKT1ROCK1CSNK1A1

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 10 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
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US 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.