SCHEMBL3490306

SCHEMBL3490306

CC(C)(C)OC(=O)NC1(C(=O)Nc2c(N)cccc2OCc2ccccc2)CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PRMT5 O14744 2/20 0.36
TLR9 Q9NR96 4/20 0.35
KIT P10721 1/20 0.34
TLR7 Q9NYK1 2/20 0.34
LIMK2 P53671 2/20 0.34
PDGFRB P09619 1/20 0.34
LIMK1 P53667 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ROCK2 O75116 2/20 0.34
HDAC1 Q13547 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
CYP2C9 P11712 1/20 0.33
PTGER1 P34995 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL3490615 0.91 CNR1 (0.37) CNR1CNR2PRMT5TLR9KIT
SCHEMBL3490469 0.89 AKT2 (0.45) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL3491436 0.87 ROCK2 (0.43) PRMT5TLR9KITTLR7LIMK2
SCHEMBL3491075 0.83 CNR1 (0.36) CNR1CNR2PRMT5TLR9KIT
SCHEMBL3489438 0.80 AKT2 (0.44) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL3490617 0.79 PRMT5 (0.40) CNR1CNR2PRMT5KITLIMK2
SCHEMBL3489369 0.78 JAK3 (0.40) CNR1CNR2KITLIMK2LIMK1
SCHEMBL3490511 0.78 ROCK2 (0.42) PRMT5TLR9KITTLR7LIMK2
SCHEMBL3491122 0.76 JAK3 (0.40) CNR1CNR2KITLIMK2LIMK1
SCHEMBL4448265 0.75 HTR1A (0.31) MEN1KMT2AHDAC1

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 CNR1 523/4885CNR2 965/4885PRMT5 175/4885

“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.