SCHEMBL4544156

SCHEMBL4544156

O=C(NC(CO)Cc1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
IRAK1 P51617 1/20 0.52
PRKX P51817 1/20 0.52
LIMK1 P53667 1/20 0.52
PRKG2 Q13237 1/20 0.52
ROCK1 Q13464 1/20 0.52
PRKG1 Q13976 1/20 0.52
PKN2 Q16513 1/20 0.52
HIPK4 Q8NE63 1/20 0.52
AURKB Q96GD4 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
CSNK1G1 Q9HCP0 1/20 0.52
LMNA P02545 1/20 0.45
MME P08473 2/20 0.43
ACE P12821 1/20 0.43
MMEL1 Q495T6 1/20 0.43
EGFR P00533 2/20 0.43
CYP3A4 P08684 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
SCHEMBL18577189 0.81 ROCK2 (0.57) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL18577188 0.81 ROCK2 (0.57) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL1095523 0.80 GAA (0.42) MMECNR2SMN1; SMN2PPARGPPARA
SCHEMBL12204087 0.80 ACACB (0.57) CNR2ACACBCNR1
SCHEMBL14195827 0.80 ACACB (0.56) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL1177475 0.78 ROCK2 (0.54) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL18577119 0.78 ROCK2 (0.54) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL26696606 0.77 ROCK2 (0.53) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL20397749 0.76 CNR1 (0.59) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL23169724 0.76 CYP3A4 (0.56) ROCK2PRKACARPS6KB1IRAK1PRKX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ROCK2 499/4885PRKACA 42/4885RPS6KB1 99/4885

“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.