SCHEMBL4782383

SCHEMBL4782383

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.61
KHK P50053 1/20 0.50
LIMK2 P53671 2/20 0.49
LIMK1 P53667 2/20 0.49
ROCK2 O75116 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49

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
SCHEMBL27782474 0.78 LIMK1 (0.62) AKT1LIMK2LIMK1ROCK2PRKACA
SCHEMBL1446615 0.78 LIMK2 (0.63) AKT1LIMK2LIMK1ROCK2PRKACA
SCHEMBL27782481 0.75 LIMK1 (0.58) AKT1LIMK2LIMK1ROCK2PRKACA
SCHEMBL4780087 0.75 AKT1 (0.51) AKT1LIMK2LIMK1ROCK2PRKACA
SCHEMBL1050760 0.72 AKT1 (0.56) AKT1KHK
SCHEMBL28780125 0.72 LIMK1 (0.63) AKT1LIMK2LIMK1ROCK2PRKACA
SCHEMBL12959143 0.72 AKT1 (0.56) AKT1LIMK2LIMK1
SCHEMBL12958072 0.72 AKT1 (0.57) AKT1LIMK2LIMK1ROCK2PRKACA
SCHEMBL4869496 0.71 LIMK2 (0.72) AKT1KHKLIMK2
SCHEMBL28780100 0.71 AKT1 (0.54) AKT1LIMK2LIMK1ROCK2PRKACA

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 752/4885KHK 2207/4885LIMK2 1823/4885

“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.