SCHEMBL4779796

SCHEMBL4779796

Cc1c[nH]c2ncnc(N3CCCC(N)(CNc4ccccc4)C3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.65
LIMK2 P53671 3/20 0.51
KHK P50053 1/20 0.48
LRRK2 Q5S007 2/20 0.47
ROCK2 O75116 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
LIMK1 P53667 1/20 0.46
CDC7 O00311 1/20 0.46
ROS1 P08922 1/20 0.46
KIT P10721 1/20 0.46
MARK3 P27448 1/20 0.46
FLT3 P36888 1/20 0.46
CDK8 P49336 1/20 0.46
MAP2K1 Q02750 1/20 0.46
MAP3K10 Q02779 1/20 0.46
STK3 Q13188 1/20 0.46
MELK Q14680 1/20 0.46
MARK4 Q96L34 1/20 0.46

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
SCHEMBL4727205 0.94 AKT1 (0.73) AKT1LIMK2ROCK2PRKACAPRKACG
SCHEMBL4779777 0.90 AKT1 (0.59) AKT1LIMK2KHKLRRK2ROCK2
SCHEMBL4776438 0.88 AKT1 (0.64) AKT1LIMK2ROCK2PRKACAPRKACG
SCHEMBL4778792 0.87 AKT1 (0.64) AKT1LIMK2KHKLRRK2CDC7
SCHEMBL4781960 0.84 AKT1 (0.74) AKT1
SCHEMBL4796413 0.84 AKT1 (0.74) AKT1
SCHEMBL4776789 0.83 AKT1 (0.62) AKT1LIMK2KHKLRRK2CDC7
SCHEMBL4727192 0.83 AKT1 (0.73) AKT1LIMK2ROCK2PRKACAPRKACG
SCHEMBL4919149 0.82 AKT1 (0.70) AKT1
SCHEMBL4780166 0.81 AKT1 (0.63) 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 1823/4885KHK 2207/4885

“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.