SCHEMBL2279206

SCHEMBL2279206

c1nc(N2CCCCC2)c2cn[nH]c2n1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.70
LMNA P02545 3/20 0.67
MAPT P10636 3/20 0.67
HTT P42858 1/20 0.60
JAK3 P52333 2/20 0.58
RPS6KB1 P23443 2/20 0.58
PAK1 Q13153 8/20 0.50
RET P07949 1/20 0.49
PI4KA P42356 1/20 0.49
XDH P47989 1/20 0.49
LRRK2 Q5S007 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
AKT1 P31749 1/20 0.48
PDGFRB P09619 1/20 0.48

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
SCHEMBL29894717 1.00 AKT2 (0.70) AKT2LMNAMAPTHTTJAK3
Hydrochloric Acid SCHEMBL2799346 0.84 AKT2 (0.67) AKT2LMNAMAPTHTTRPS6KB1
SCHEMBL4996432 0.84 LMNA (0.68) AKT2LMNAMAPTHTTJAK3
Hydrochloric Acid SCHEMBL28363987 0.84 AKT2 (0.67) AKT2LMNAMAPTHTTRPS6KB1
SCHEMBL1003794 0.83 AKT2 (1.00) AKT2LMNAMAPTHTTRPS6KB1
SCHEMBL31677414 0.83 AKT2 (1.00) AKT2LMNAMAPTHTTRPS6KB1
SCHEMBL4128044 0.80 AKT2 (1.00) AKT2LMNAMAPTHTTRPS6KB1
SCHEMBL5278122 0.80 LMNA (0.67) AKT2LMNAMAPTHTTRPS6KB1
SCHEMBL1792018 0.80 MAPT (1.00) AKT2LMNAMAPTHTTRPS6KB1
SCHEMBL27644898 0.78 LMNA (0.60) AKT2LMNAMAPTHTTRPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-03-02 US disclosed
WO-2021123798-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2021-06-24 WO disclosed
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 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
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US 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 (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-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER DPYD, ABCC1, TYMP AKT2 2208/4885LMNA 4582/4885MAPT 4343/4885
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 AKT2 6/4885LMNA 4117/4885MAPT 3426/4885
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A AKT2 35/4885LMNA 1923/4885MAPT 3625/4885

“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.