SCHEMBL4128044

SCHEMBL4128044

NCC1CCN(c2ncnc3[nH]ncc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 4/20 1.00
GSK3B P49841 1/20 0.63
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.59
CHEK1 O14757 1/20 0.56
CHEK2 O96017 1/20 0.56
PAK1 Q13153 11/20 0.55
HTT P42858 1/20 0.54
RPS6KB1 P23443 1/20 0.52

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
SCHEMBL31677414 0.85 AKT2 (1.00) AKT2GSK3BLMNAMAPTCHEK1
SCHEMBL1003794 0.85 AKT2 (1.00) AKT2GSK3BLMNAMAPTCHEK1
SCHEMBL20862539 0.81 AKT2 (0.71) AKT2LMNAMAPTPAK1HTT
SCHEMBL29894717 0.80 AKT2 (0.70) AKT2LMNAMAPTPAK1HTT
SCHEMBL2279206 0.80 AKT2 (0.70) AKT2LMNAMAPTPAK1HTT
SCHEMBL13651694 0.80 AKT2 (0.66) AKT2LMNAMAPTPAK1HTT
SCHEMBL4996432 0.78 LMNA (0.68) AKT2LMNAMAPTCHEK1PAK1
Hydrochloric Acid SCHEMBL28363987 0.78 AKT2 (0.67) AKT2LMNAMAPTPAK1HTT
Hydrochloric Acid SCHEMBL2799346 0.78 AKT2 (0.67) AKT2LMNAMAPTPAK1HTT
SCHEMBL4125661 0.77 AKT2 (1.00) AKT2GSK3BCHEK1CHEK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
CN-101484173-A Pharmaceutical combinations of pk inhibitors and other active agents ASTEX THERAPEUTICS LTD (GB) 2009-07-15 CN disclosed
CN-101479263-A Pharmaceutical compounds ASTEX THERAPEUTICS LTD (GB) 2009-07-08 CN disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents ASTEX THERAPEUTICS LIMITED (GB) 2009-03-26 US disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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 (3 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-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 AKT2 153/4885GSK3B 157/4885LMNA 2691/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 AKT2 523/4885GSK3B 109/4885LMNA 1158/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 AKT2 999/4885GSK3B 605/4885LMNA 2191/4885

“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.