SCHEMBL3488975

SCHEMBL3488975

CC(C)(C)OC(=O)NC1(C(=O)N(N)c2ccc(Br)cc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.50
JAK3 P52333 4/20 0.50
AKT2 P31751 5/20 0.44
KIT P10721 1/20 0.43
ROCK2 O75116 3/20 0.42
CYP2C9 P11712 1/20 0.42
ENPP1 P22413 1/20 0.42
AKT3 Q9Y243 1/20 0.42
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 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
SCHEMBL3489794 0.91 JAK3 (0.47) AKT1JAK3AKT2ROCK2AKT3
SCHEMBL3488749 0.87 AKT1 (0.53) AKT1JAK3AKT2KITROCK2
SCHEMBL390884 0.83 JAK3 (0.58) AKT1JAK3AKT2KITROCK2
SCHEMBL31374403 0.83 JAK3 (0.58) AKT1JAK3AKT2KITROCK2
SCHEMBL3489441 0.82 AKT2 (0.47) AKT1JAK3AKT2ROCK2CYP2C9
SCHEMBL3650884 0.80 AKT1 (0.52) AKT1AKT2ROCK2CYP2C9AKT3
SCHEMBL3490474 0.80 JAK3 (0.45) AKT1JAK3AKT2KITROCK2
SCHEMBL3488971 0.80 AKT1 (0.48) AKT1JAK3AKT2ROCK2CYP2C9
SCHEMBL3489790 0.80 AKT1 (0.48) AKT1JAK3AKT2ROCK2CYP2C9
SCHEMBL391354 0.80 AKT1 (0.51) AKT1JAK3AKT2ROCK2CYP2C9

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

“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.