SCHEMBL3492018

SCHEMBL3492018

NCC1(c2nc3ccccc3[nH]2)CCN(c2ncnc3[nH]cc(Cl)c23)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.50
LRRK2 Q5S007 2/20 0.46
AKT2 P31751 2/20 0.43
GSK3B P49841 2/20 0.43
STK4 Q13043 3/20 0.41
STK3 Q13188 3/20 0.41

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
SCHEMBL3489804 0.89 AKT1 (0.49) AKT1STK4STK3
SCHEMBL3489449 0.89 AKT1 (0.46) AKT1LRRK2AKT2GSK3BSTK4
SCHEMBL3489823 0.82 AKT2 (0.43) AKT2GSK3B
SCHEMBL3489867 0.81 AKT2 (0.60) AKT1AKT2GSK3B
SCHEMBL3489391 0.81 LMNA (0.37) AKT1AKT2GSK3B
SCHEMBL3491281 0.76 AKT1 (0.42) AKT1LRRK2AKT2GSK3BSTK4
SCHEMBL3488970 0.73 AKT2 (0.50) AKT1AKT2GSK3B
SCHEMBL3488990 0.73 AKT2 (0.68) AKT1AKT2GSK3B
SCHEMBL3492023 0.73 AKT2 (0.52) AKT1AKT2GSK3B
SCHEMBL3492832 0.72 LRRK2 (0.51) AKT1LRRK2AKT2GSK3BSTK4

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 AKT1 18/4885LRRK2 236/4885AKT2 35/4885

“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.