SCHEMBL3489842

SCHEMBL3489842

COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ncc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 10/20 0.46
AKT2 P31751 2/20 0.45
ROCK2 O75116 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
RPS6KB1 P23443 2/20 0.42
PDGFRB P09619 1/20 0.42
AKT1 P31749 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
SCHEMBL3491986 0.91 PDGFRB (0.47) PAK1AKT2ROCK2PRKACAPRKACG
SCHEMBL23500834 0.87 AKT2 (0.47) PAK1AKT2ROCK2PRKACAPRKACG
SCHEMBL3491122 0.82 JAK3 (0.40) AKT2ROCK2PRKACAPRKACGPRKACB
SCHEMBL2272116 0.78 KIT (0.62) PAK1AKT2LMNAMAPTHTT
SCHEMBL1003756 0.78 PAK1 (0.64) PAK1AKT2
SCHEMBL3491439 0.77 LMNA (0.42) PAK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL3491436 0.76 ROCK2 (0.43) PAK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL14391712 0.76 AKT2 (0.58) PAK1AKT2RPS6KB1
SCHEMBL21639716 0.76 CYP3A4 (0.37) MAPT
SCHEMBL3490511 0.76 ROCK2 (0.42) PAK1ROCK2PRKACAPRKACGPRKACB

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 PAK1 502/4885AKT2 35/4885ROCK2 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.