SCHEMBL3490754

SCHEMBL3490754

N#CC1(c2nc3cc(Br)ccc3[nH]2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.46
AKT2 P31751 7/20 0.45
GSK3B P49841 4/20 0.45
KIT P10721 1/20 0.45
AKT1 P31749 4/20 0.45
HTR2C P28335 1/20 0.44
ENPP1 P22413 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
RPS6KB1 P23443 1/20 0.42
LCK P06239 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
SCHEMBL3491535 0.90 AKT2 (0.54) JAK3AKT2GSK3BAKT1CYP2D6
SCHEMBL3491270 0.87 AKT2 (0.49) JAK3AKT2GSK3BKITAKT1
SCHEMBL3490604 0.87 AKT2 (0.54) JAK3AKT2GSK3BKITAKT1
SCHEMBL3489782 0.84 AKT2 (0.56) JAK3AKT2GSK3BKITAKT1
SCHEMBL13437630 0.79 AKT1S1 (0.36)
SCHEMBL3489447 0.77 HRH4 (0.40) AKT2GSK3BKITAKT1CYP2D6
SCHEMBL14162138 0.76 AKT2 (0.67) JAK3AKT2GSK3BAKT1CYP2D6
SCHEMBL3488990 0.74 AKT2 (0.68) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL3491051 0.73 AKT2 (0.50) JAK3AKT2GSK3BKITAKT1
SCHEMBL1002695 0.73 AKT2 (0.72) JAK3AKT2GSK3BKITAKT1

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 4 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
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 JAK3 225/4885AKT2 35/4885GSK3B 300/4885

“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.