SCHEMBL5474545

SCHEMBL5474545

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.56
ROCK1 Q13464 6/20 0.56
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
CSNK1E P49674 1/20 0.56
MAPK14 Q16539 1/20 0.56
FGFR1 P11362 1/20 0.51
CYP3A4 P08684 3/20 0.45
AKT2 P31751 2/20 0.45
AKT3 Q9Y243 2/20 0.45
GSK3B P49841 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CYP2C19 P33261 1/20 0.45
PAK1 Q13153 1/20 0.45
PDK1 Q15118 1/20 0.45
CDK2 P24941 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
SCHEMBL4791666 1.00 AKT1 (0.56) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4722252 0.91 AKT1 (0.54) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4722256 0.91 AKT1 (0.54) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4725007 0.88 AKT1 (0.56) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4725008 0.88 AKT1 (0.56) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL5472520 0.88 AKT1 (0.61) AKT1ROCK1FGFR1CYP3A4AKT2
SCHEMBL4791123 0.88 AKT1 (0.61) AKT1ROCK1FGFR1CYP3A4AKT2
SCHEMBL4719921 0.86 FGFR1 (0.46) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4719926 0.86 FGFR1 (0.46) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4660832 0.85 AKT1 (0.55) AKT1ROCK1FGFR1CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US claimed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US 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 AKT1 1/4885ROCK1 589/4885CSNK1A1 545/4885

“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.