SCHEMBL3489396

SCHEMBL3489396

NC1(c2nc3c(C=O)cccc3[nH]2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 13/20 0.52
GSK3B P49841 3/20 0.52
JAK3 P52333 3/20 0.46
RPS6KB1 P23443 2/20 0.45
AKT1 P31749 2/20 0.45
HTR2C P28335 1/20 0.45
ENPP1 P22413 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ROCK2 O75116 2/20 0.44
AKT3 Q9Y243 1/20 0.44
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 1/20 0.43

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
SCHEMBL3491985 0.85 AKT2 (0.54) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL3490765 0.85 AKT2 (0.61) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL13403209 0.85 AKT2 (0.54) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL3489749 0.84 AKT2 (0.60) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL3490873 0.83 AKT2 (0.52) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL3492035 0.83 AKT2 (0.53) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL3489674 0.81 AKT2 (0.50) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL3489645 0.81 AKT2 (0.50) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL3488997 0.81 AKT2 (0.58) AKT2GSK3BJAK3RPS6KB1AKT1
SCHEMBL3489475 0.81 AKT2 (0.54) AKT2GSK3BJAK3RPS6KB1AKT1

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 3 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
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

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 300/4885JAK3 225/4885

“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.