SCHEMBL3489438

SCHEMBL3489438

CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(OCc3ccccc3)c2N)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 13/20 0.44
JAK3 P52333 2/20 0.44
ROCK2 O75116 6/20 0.43
AKT1 P31749 6/20 0.43
AKT3 Q9Y243 3/20 0.43
PRKACA P17612 2/20 0.43
PRKACG P22612 2/20 0.43
PRKACB P22694 2/20 0.43
LIMK1 P53667 2/20 0.43
LIMK2 P53671 2/20 0.43
KCNH2 Q12809 2/20 0.42
CYP2C9 P11712 2/20 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
SCHEMBL3490469 0.91 AKT2 (0.45) AKT2JAK3ROCK2AKT1AKT3
SCHEMBL3490511 0.90 ROCK2 (0.42) ROCK2AKT1PRKACAPRKACGPRKACB
SCHEMBL3490615 0.89 CNR1 (0.37) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL3490474 0.83 JAK3 (0.45) AKT2JAK3ROCK2AKT1AKT3
SCHEMBL3491436 0.80 ROCK2 (0.43) ROCK2AKT1PRKACAPRKACGPRKACB
SCHEMBL3490306 0.80 CNR1 (0.36) ROCK2AKT1PRKACAPRKACGPRKACB
SCHEMBL31374403 0.79 JAK3 (0.58) AKT2JAK3ROCK2AKT1AKT3
SCHEMBL390884 0.79 JAK3 (0.58) AKT2JAK3ROCK2AKT1AKT3
SCHEMBL3489441 0.79 AKT2 (0.47) AKT2JAK3ROCK2AKT1AKT3
SCHEMBL3489790 0.79 AKT1 (0.48) AKT2JAK3ROCK2AKT1AKT3

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 3 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

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 35/4885JAK3 225/4885ROCK2 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.