SCHEMBL3489369

SCHEMBL3489369

CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KIT P10721 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
AKT2 P31751 3/20 0.35
LIMK2 P53671 3/20 0.35
AKT1 P31749 4/20 0.34
ROCK2 O75116 3/20 0.34
AURKA O14965 1/20 0.34
AKT3 Q9Y243 1/20 0.34
PRKACA P17612 2/20 0.33
PRKACG P22612 2/20 0.33
PRKACB P22694 2/20 0.33
LIMK1 P53667 2/20 0.33
MAPT P10636 1/20 0.33
MAP4K4 O95819 2/20 0.33

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
SCHEMBL3491122 0.91 JAK3 (0.40) JAK3CNR1CNR2KITSIRT2
SCHEMBL31374403 0.84 JAK3 (0.58) JAK3KITAKT2LIMK2AKT1
SCHEMBL390884 0.84 JAK3 (0.58) JAK3KITAKT2LIMK2AKT1
SCHEMBL3491159 0.83 SIRT2 (0.40) JAK3CNR1CNR2KITSIRT2
SCHEMBL3491986 0.82 PDGFRB (0.47) KITAKT2LIMK2AKT1ROCK2
SCHEMBL391942 0.80 AKT1 (0.46) JAK3LIMK2AKT1ROCK2AURKA
SCHEMBL11946593 0.79 CNR1 (0.37) JAK3CNR1CNR2KITSIRT2
SCHEMBL3491075 0.79 CNR1 (0.36) JAK3CNR1CNR2KITAKT2
SCHEMBL3490306 0.78 CNR1 (0.36) CNR1CNR2KITLIMK2AKT1
SCHEMBL3490615 0.78 CNR1 (0.37) CNR1CNR2KITLIMK2ROCK2

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 6 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
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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 JAK3 225/4885CNR1 523/4885CNR2 965/4885

“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.