SCHEMBL3490474

SCHEMBL3490474

CC(C)(C)OC(=O)NC1(C(=O)N(N)c2ccccc2OCc2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.45
AKT2 P31751 12/20 0.44
AKT1 P31749 3/20 0.43
ROCK2 O75116 3/20 0.43
AKT3 Q9Y243 2/20 0.43
KCNH2 Q12809 1/20 0.42
CYP2C9 P11712 1/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL3491439 0.89 LMNA (0.42) AKT1ROCK2KIT
SCHEMBL3491075 0.89 CNR1 (0.36) JAK3AKT2CYP2C9KIT
SCHEMBL3489441 0.87 AKT2 (0.47) JAK3AKT2AKT1ROCK2AKT3
SCHEMBL3490469 0.83 AKT2 (0.45) JAK3AKT2AKT1ROCK2AKT3
SCHEMBL3489438 0.83 AKT2 (0.44) JAK3AKT2AKT1ROCK2AKT3
SCHEMBL3488975 0.80 AKT1 (0.50) JAK3AKT2AKT1ROCK2AKT3
SCHEMBL390884 0.80 JAK3 (0.58) JAK3AKT2AKT1ROCK2AKT3
SCHEMBL31374403 0.80 JAK3 (0.58) JAK3AKT2AKT1ROCK2AKT3
SCHEMBL3489794 0.79 JAK3 (0.47) JAK3AKT2AKT1ROCK2AKT3
SCHEMBL3490514 0.77 ROCK2 (0.42) ROCK2KIT

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 JAK3 225/4885AKT2 35/4885AKT1 18/4885

“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.