SCHEMBL4127724

SCHEMBL4127724

NCC1CCCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.73
AKT2 P31751 2/20 0.72
GSK3B P49841 2/20 0.72
JAK3 P52333 8/20 0.71
PRKAB2 O43741 1/20 0.65
PRKAG1 P54619 1/20 0.65
PRKAA2 P54646 1/20 0.65
PRKAA1 Q13131 1/20 0.65
PRKAG3 Q9UGI9 1/20 0.65
PRKAG2 Q9UGJ0 1/20 0.65
PRKAB1 Q9Y478 1/20 0.65
BTK Q06187 3/20 0.60
KIT P10721 1/20 0.60
LCK P06239 1/20 0.59
JAK2 O60674 4/20 0.58
HTR2C P28335 1/20 0.56

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
SCHEMBL6740561 0.89 DOT1L (0.71) DOT1LAKT2GSK3BJAK3PRKAB2
SCHEMBL1531444 0.84 DOT1L (1.00) DOT1LAKT2GSK3BJAK3PRKAB2
SCHEMBL1531600 0.84 DOT1L (1.00) DOT1LAKT2GSK3BJAK3PRKAB2
SCHEMBL1531446 0.84 DOT1L (1.00) DOT1LAKT2GSK3BJAK3PRKAB2
SCHEMBL4125661 0.84 AKT2 (1.00) DOT1LAKT2GSK3BJAK3KIT
SCHEMBL20862485 0.83 JAK3 (1.00) DOT1LAKT2GSK3BJAK3PRKAB2
SCHEMBL2020261 0.83 DOT1L (0.74) DOT1LAKT2GSK3BJAK3PRKAB2
SCHEMBL3954391 0.83 JAK3 (1.00) DOT1LAKT2GSK3BJAK3PRKAB2
SCHEMBL2019326 0.83 DOT1L (0.74) DOT1LAKT2GSK3BJAK3PRKAB2
SCHEMBL2019327 0.83 DOT1L (0.74) DOT1LAKT2GSK3BJAK3PRKAB2

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 DOT1L 2116/4885AKT2 153/4885GSK3B 157/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 DOT1L 1817/4885AKT2 523/4885GSK3B 109/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 DOT1L 2031/4885AKT2 999/4885GSK3B 605/4885

“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.