SCHEMBL4727083

SCHEMBL4727083

Cc1c[nH]c2ncnc(N3CCC(C=O)(NC(=O)OC(C)(C)C)C3)c12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.53
LIMK2 P53671 5/20 0.46
ROCK2 O75116 3/20 0.44
PRKACA P17612 3/20 0.44
PRKACG P22612 3/20 0.44
PRKACB P22694 3/20 0.44
LIMK1 P53667 3/20 0.44

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
SCHEMBL4782449 0.81 JAK3 (0.39) AKT1LIMK2
SCHEMBL4780087 0.80 AKT1 (0.51) AKT1LIMK2ROCK2PRKACAPRKACG
SCHEMBL4727150 0.77 JAK3 (0.35) AKT1
SCHEMBL1049750 0.77 JAK3 (0.56) AKT1LIMK2
SCHEMBL9967211 0.75 AKT1 (0.64) AKT1LIMK2
SCHEMBL4839184 0.74 CDC42BPB (0.55) ROCK2
SCHEMBL28367843 0.74 AKT1 (0.57) AKT1LIMK2
SCHEMBL4776358 0.73 AKT1 (0.49) AKT1LIMK2ROCK2PRKACAPRKACG
SCHEMBL24805277 0.72 AKT1 (0.53) AKT1LIMK2
SCHEMBL4782383 0.71 AKT1 (0.61) AKT1LIMK2ROCK2PRKACAPRKACG

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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 AKT1 752/4885LIMK2 1823/4885ROCK2 680/4885

“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.