SCHEMBL4919196

SCHEMBL4919196

NC1(CNc2ncc(Cl)cn2)CCN(c2ccnc3[nH]ccc23)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 17/20 0.61
GSK3B P49841 4/20 0.53
AKT1 P31749 5/20 0.51
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
RPS6KB1 P23443 1/20 0.45
PBK Q96KB5 1/20 0.42
NUDT1 P36639 1/20 0.40

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
SCHEMBL4920000 0.88 AKT2 (0.69) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL4779830 0.78 AKT2 (0.52) AKT2GSK3BAKT1CYP2C9PBK
SCHEMBL4779828 0.78 AKT2 (0.52) AKT2GSK3BAKT1CYP2C9PBK
SCHEMBL4727707 0.76 AKT2 (0.52) AKT2GSK3BAKT1PBKNUDT1
SCHEMBL1000908 0.76 AKT2 (1.00) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL1003117 0.73 AKT2 (0.74) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL1001941 0.70 AKT2 (1.00) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL29869807 0.69 JAK3 (0.58) AKT2GSK3BPBKNUDT1
SCHEMBL16105902 0.69 AKT2 (0.62) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL12547303 0.68 AKT2 (0.52) AKT2GSK3BAKT1PBKNUDT1

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 1 patent. 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

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.