SCHEMBL3488970

SCHEMBL3488970

NCC1(c2nc3cc(Cl)ccc3[nH]2)CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 15/20 0.50
GSK3B P49841 7/20 0.50
AKT1 P31749 6/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
RPS6KB1 P23443 1/20 0.39
HRH4 Q9H3N8 2/20 0.39

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
SCHEMBL14162395 0.87 AKT2 (0.47) AKT2GSK3BAKT1KDM4EALDH1A1
SCHEMBL3488990 0.86 AKT2 (0.68) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL3489823 0.86 AKT2 (0.43) AKT2GSK3BKDM4EALDH1A1LMNA
SCHEMBL3489447 0.84 HRH4 (0.40) AKT2GSK3BAKT1KDM4EALDH1A1
SCHEMBL3491773 0.81 AKT2 (0.47) AKT2GSK3BAKT1KDM4EALDH1A1
SCHEMBL1002960 0.80 AKT2 (0.72) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL1001928 0.79 AKT2 (0.56) AKT2GSK3BAKT1MAPTRPS6KB1
SCHEMBL3490576 0.76 AKT2 (0.56) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL3489782 0.76 AKT2 (0.56) AKT2GSK3BAKT1CYP2D6CYP2C9
SCHEMBL1000907 0.76 AKT1 (0.60) AKT2GSK3BAKT1

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.