SCHEMBL4727626

SCHEMBL4727626

NC1(CNc2cccc(Oc3ccccc3)c2)CCN(c2ncnc3[nH]cc(Cl)c23)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.56
LIMK2 P53671 1/20 0.47
RPS6KB1 P23443 1/20 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
SCHEMBL4725273 0.81 AKT1 (0.60) AKT1
SCHEMBL4776709 0.79 AKT1 (0.59) AKT1
SCHEMBL4778241 0.78 AKT1 (0.60) AKT1LIMK2
SCHEMBL4727205 0.78 AKT1 (0.73) AKT1LIMK2
SCHEMBL4726850 0.78 AKT1 (0.67) AKT1LIMK2RPS6KB1
SCHEMBL4910957 0.77 AKT1 (0.67) AKT1
SCHEMBL4780172 0.77 AKT1 (0.86) AKT1RPS6KB1
SCHEMBL4782326 0.76 AKT1 (0.60) AKT1RPS6KB1
SCHEMBL4866916 0.75 LIMK2 (0.50) AKT1LIMK2
SCHEMBL4727192 0.75 AKT1 (0.73) AKT1LIMK2RPS6KB1

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 5 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
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
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
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 1823/4885RPS6KB1 1428/4885

“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.