SCHEMBL3491986

SCHEMBL3491986

CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ncc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
AKT2 P31751 2/20 0.46
ROCK2 O75116 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
PAK1 Q13153 9/20 0.44
HTT P42858 1/20 0.43
KIT P10721 1/20 0.43
RPS6KB1 P23443 2/20 0.43
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
SCHEMBL3489842 0.91 PAK1 (0.46) PDGFRBLMNAMAPTAKT2ROCK2
SCHEMBL23500834 0.88 AKT2 (0.47) PDGFRBLMNAMAPTAKT2ROCK2
SCHEMBL390884 0.84 JAK3 (0.58) AKT2ROCK2PRKACAPRKACGPRKACB
SCHEMBL31374403 0.84 JAK3 (0.58) AKT2ROCK2PRKACAPRKACGPRKACB
SCHEMBL3489369 0.82 JAK3 (0.40) MAPTAKT2ROCK2PRKACAPRKACG
SCHEMBL3491439 0.79 LMNA (0.42) PDGFRBLMNAMAPTROCK2PRKACA
SCHEMBL3491436 0.79 ROCK2 (0.43) PDGFRBLMNAMAPTROCK2PRKACA
SCHEMBL2272116 0.79 KIT (0.62) PDGFRBLMNAMAPTAKT2PAK1
SCHEMBL1003756 0.78 PAK1 (0.64) AKT2PAK1
SCHEMBL3490511 0.78 ROCK2 (0.42) PDGFRBLMNAMAPTROCK2PRKACA

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 PDGFRB 1025/4885LMNA 1923/4885MAPT 3625/4885

“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.