SCHEMBL3488934

SCHEMBL3488934

COc1ccc(Oc2ccc3[nH]c(C4(N)CCN(c5ncnc6[nH]ccc56)CC4)nc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 11/20 0.52
GSK3B P49841 3/20 0.48
AKT1 P31749 3/20 0.47
TTBK1 Q5TCY1 2/20 0.45
TTBK2 Q6IQ55 2/20 0.45
ROCK2 O75116 3/20 0.44
AKT3 Q9Y243 1/20 0.44
JAK3 P52333 3/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
KIT P10721 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
CYP2C9 P11712 2/20 0.42
ENPP1 P22413 1/20 0.42
CYP2D6 P10635 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
SCHEMBL3492559 0.95 AKT2 (0.58) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3488944 0.91 AKT2 (0.52) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3491213 0.87 KIT (0.40) AKT2LIMK2KIT
SCHEMBL3489748 0.85 AKT2 (0.59) AKT2GSK3BROCK2JAK3PRKACA
SCHEMBL3490179 0.85 AKT2 (0.61) AKT2GSK3BAKT1TTBK1TTBK2
SCHEMBL14162138 0.83 AKT2 (0.67) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3490604 0.82 AKT2 (0.54) AKT2GSK3BAKT1JAK3KIT
SCHEMBL3489838 0.82 AKT2 (0.52) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3491227 0.81 ALDH1A1 (0.49) AKT2GSK3BAKT1ROCK2AKT3
SCHEMBL3491051 0.80 AKT2 (0.50) AKT2GSK3BAKT1ROCK2JAK3

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 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.