SCHEMBL3489710

SCHEMBL3489710

NC1(c2nc3cc(-c4cccnc4)ccc3[nH]2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 14/20 0.48
AKT1 P31749 3/20 0.48
ROCK2 O75116 1/20 0.48
AKT3 Q9Y243 1/20 0.48
GSK3B P49841 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2D6 P10635 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
JAK3 P52333 2/20 0.43
KIT P10721 2/20 0.42
CYP2C9 P11712 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL3491478 0.90 AKT2 (0.52) AKT2AKT1ROCK2AKT3GSK3B
SCHEMBL3490600 0.89 AKT2 (0.51) AKT2AKT1ROCK2GSK3BCYP2D6
SCHEMBL3492042 0.85 AKT2 (0.48) AKT2AKT1ROCK2GSK3BCYP2D6
SCHEMBL3489748 0.85 AKT2 (0.59) AKT2ROCK2GSK3BCYP1A2CYP3A4
SCHEMBL13403113 0.84 AKT2 (0.55) AKT2AKT1ROCK2AKT3GSK3B
SCHEMBL3490363 0.83 AKT2 (0.48) AKT2AKT1ROCK2GSK3BCYP1A2
SCHEMBL3488944 0.83 AKT2 (0.52) AKT2AKT1ROCK2AKT3GSK3B
SCHEMBL3491262 0.83 AKT2 (0.47) AKT2AKT1ROCK2AKT3GSK3B
SCHEMBL13403203 0.83 AKT2 (0.50) AKT2AKT1ROCK2AKT3GSK3B
SCHEMBL13403194 0.83 AKT2 (0.48) AKT2AKT1GSK3BCYP2D6JAK3

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 4 patents. 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
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A AKT2 35/4885AKT1 18/4885ROCK2 259/4885

“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.