SCHEMBL4779828

SCHEMBL4779828

Cc1ncccc1NCC1(N)CCN(c2ccnc3[nH]ccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 13/20 0.52
GSK3B P49841 1/20 0.45
AKT1 P31749 1/20 0.43
NUDT1 P36639 3/20 0.41
PBK Q96KB5 2/20 0.41
METTL3 Q86U44 1/20 0.39
ROCK2 O75116 1/20 0.38
CYP2C9 P11712 1/20 0.38
ENPP1 P22413 1/20 0.37

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
SCHEMBL4779830 1.00 AKT2 (0.52) AKT2GSK3BAKT1NUDT1PBK
SCHEMBL4725770 0.82 AKT1 (0.43) AKT1ROCK2
SCHEMBL4918210 0.82 AKT1 (0.43) AKT1ROCK2
SCHEMBL4920000 0.80 AKT2 (0.69) AKT2GSK3BAKT1PBKCYP2C9
SCHEMBL4919196 0.78 AKT2 (0.61) AKT2GSK3BAKT1NUDT1PBK
SCHEMBL4727707 0.77 AKT2 (0.52) AKT2GSK3BAKT1NUDT1PBK
SCHEMBL12547303 0.69 AKT2 (0.52) AKT2GSK3BAKT1NUDT1PBK
SCHEMBL1000908 0.68 AKT2 (1.00) AKT2GSK3BAKT1ROCK2CYP2C9
SCHEMBL1002759 0.68 AKT2 (1.00) AKT2GSK3BAKT1PBKMETTL3
SCHEMBL4780249 0.68 ROCK2 (0.42) ROCK2

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 AKT2 1098/4885GSK3B 1722/4885AKT1 752/4885

“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.