SCHEMBL4024871

SCHEMBL4024871

CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 5/20 0.44
CNR1 P21554 3/20 0.44
NSD2 O96028 1/20 0.44
CNR2 P34972 1/20 0.42
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.42
KCNH2 Q12809 1/20 0.41
STS P08842 1/20 0.40
KDM1A O60341 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
BTK Q06187 1/20 0.40
DNMT3A Q9Y6K1 1/20 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
SCHEMBL2811944 0.85 PIK3CA (0.44) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL1748337 0.85 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL10137687 0.84 GPR119 (0.55) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL1693887 0.82 ALDH1A1 (0.44) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL1779986 0.82 ALDH1A1 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4188153 0.81 ALDH1A1 (0.40) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL27100995 0.80 ALDH1A1 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL29712752 0.80 ALDH1A1 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL1693754 0.78 MAPT (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL30585996 0.78 ALDH1A1 (0.46) ALDH1A1MAPTNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097490-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD ALDH1A1 3052/4885MAPT 3265/4885NPC1 2373/4885

“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.