SCHEMBL4725959

SCHEMBL4725959

N#Cc1c[nH]c2ncnc(N3CCC(N)(CNc4cccc5c4CCCC5)C3)c12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.57
LRRK2 Q5S007 2/20 0.42
ROCK2 O75116 2/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 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
SCHEMBL4920449 0.89 AKT1 (0.60) AKT1ROCK2LIMK1LIMK2
SCHEMBL4779618 0.82 AKT1 (0.59) AKT1LRRK2
SCHEMBL14294557 0.80 AKT1 (0.62) AKT1ROCK2ROCK1CDC42BPB
SCHEMBL4777000 0.80 AKT1 (0.75) AKT1ROCK2ROCK1CDC42BPB
SCHEMBL4778602 0.77 AKT1 (0.55) AKT1LRRK2ROCK2ROCK1CDC42BPB
SCHEMBL4778345 0.75 AKT1 (0.84) AKT1
SCHEMBL4776709 0.74 AKT1 (0.59) AKT1
SCHEMBL4919717 0.73 AKT1 (0.78) AKT1
SCHEMBL4781954 0.73 AKT1 (0.82) AKT1
SCHEMBL4726043 0.73 AKT1 (0.62) AKT1

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 752/4885LRRK2 162/4885ROCK2 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.