SCHEMBL3489838

SCHEMBL3489838

CC(C)c1ccc2[nH]c(C3(N)CCN(c4ncnc5[nH]ccc45)CC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 12/20 0.52
GSK3B P49841 2/20 0.52
AKT1 P31749 14/20 0.49
ROCK2 O75116 9/20 0.49
AKT3 Q9Y243 9/20 0.49
KCNH2 Q12809 5/20 0.49
JAK3 P52333 2/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL14162138 0.86 AKT2 (0.67) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3490604 0.85 AKT2 (0.54) AKT2GSK3BAKT1JAK3KIT
SCHEMBL3492559 0.85 AKT2 (0.58) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3491051 0.83 AKT2 (0.50) AKT2GSK3BAKT1ROCK2JAK3
SCHEMBL3488997 0.83 AKT2 (0.58) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3491478 0.83 AKT2 (0.52) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3489802 0.82 AKT2 (0.61) AKT2GSK3BAKT1JAK3KIT
SCHEMBL3490533 0.82 AKT2 (0.55) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3490600 0.82 AKT2 (0.51) AKT2GSK3BAKT1ROCK2JAK3
SCHEMBL3488934 0.82 AKT2 (0.52) AKT2GSK3BAKT1ROCK2AKT3

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 9 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
EP-1290106-B1 ANTISTATIC AGENT BAYER MATERIALSCIENCE AG (DE) 2009-08-12 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
EP-1290106-A1 ANTISTATIC AGENT Bayer Aktiengesellschaft (DE) 2003-03-12 EP disclosed
WO-2001085869-A1 ANTISTATIC AGENT BAYER AKTIENGESELLSCHAFT (DE) 2001-11-15 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 AKT2 35/4885GSK3B 300/4885AKT1 18/4885

“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.