SCHEMBL3490751

SCHEMBL3490751

NC1(c2nc3cccc(-c4ccoc4)c3[nH]2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 13/20 0.48
GSK3B P49841 3/20 0.48
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46
JAK3 P52333 3/20 0.43
RPS6KB1 P23443 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
AKT1 P31749 1/20 0.42
HTR2C P28335 1/20 0.42
KIT P10721 1/20 0.41
ROCK2 O75116 1/20 0.41
ENPP1 P22413 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
SCHEMBL13403215 0.87 AKT2 (0.48) AKT2GSK3BSTK4STK3JAK3
SCHEMBL3490404 0.85 AKT2 (0.49) AKT2GSK3BSTK4STK3JAK3
SCHEMBL3490363 0.82 AKT2 (0.48) AKT2GSK3BJAK3RPS6KB1CYP2C9
SCHEMBL3491324 0.81 AKT2 (0.55) AKT2GSK3BJAK3RPS6KB1CYP2C9
SCHEMBL3491422 0.81 AKT2 (0.55) AKT2GSK3BJAK3RPS6KB1CYP2C9
SCHEMBL3491339 0.81 AKT2 (0.55) AKT2GSK3BJAK3RPS6KB1CYP2C9
SCHEMBL3490396 0.79 AKT2 (0.47) AKT2GSK3BJAK3RPS6KB1CYP2C9
SCHEMBL3488997 0.78 AKT2 (0.58) AKT2GSK3BJAK3RPS6KB1CYP2C9
SCHEMBL3491379 0.77 AKT2 (0.57) AKT2GSK3BJAK3RPS6KB1CYP2C9
SCHEMBL3491320 0.76 AKT2 (0.55) AKT2GSK3BJAK3RPS6KB1CYP2C9

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A AKT2 35/4885GSK3B 300/4885STK4 443/4885

“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.