SCHEMBL4778804

SCHEMBL4778804

CCOC(=O)C1(COc2cccc(C(F)(F)F)c2)CCN(c2ncnc3[nH]cc(C)c23)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.52
LIMK1 P53667 8/20 0.49
ROCK2 O75116 6/20 0.49
PRKACA P17612 5/20 0.49
PRKACG P22612 5/20 0.49
PRKACB P22694 5/20 0.49
LIMK2 P53671 9/20 0.49
ROCK1 Q13464 2/20 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
SCHEMBL4778339 0.92 LIMK2 (0.54) AKT1LIMK1ROCK2PRKACAPRKACG
SCHEMBL4726023 0.84 AKT1 (0.57) AKT1LIMK1ROCK2PRKACAPRKACG
SCHEMBL4776933 0.84 AKT1 (0.57) AKT1LIMK1ROCK2PRKACAPRKACG
SCHEMBL4780232 0.84 AKT1 (0.57) AKT1LIMK1ROCK2PRKACAPRKACG
SCHEMBL4778647 0.78 AKT1 (0.54) AKT1
SCHEMBL4782001 0.73 AKT1 (0.49) AKT1LIMK1ROCK2PRKACAPRKACG
SCHEMBL4781995 0.73 AKT1 (0.49) AKT1LIMK1ROCK2PRKACAPRKACG
SCHEMBL4782006 0.73 AKT1 (0.49) AKT1LIMK1ROCK2PRKACAPRKACG
SCHEMBL4725174 0.73 AKT1 (0.63) AKT1LIMK1ROCK2PRKACAPRKACG
SCHEMBL4780166 0.73 AKT1 (0.63) AKT1LIMK1ROCK2PRKACAPRKACG

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 752/4885LIMK1 1528/4885ROCK2 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.