SCHEMBL6357934

SCHEMBL6357934

CC(C)(C)C(=O)OCn1c(Br)nc2nc(NCc3ccccc3)[nH]c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
PDE9A O76083 2/20 0.40
TYMS P04818 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLPP Q16740 2/20 0.37
FABP4 P15090 1/20 0.37
PIM1 P11309 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL6357813 0.85 PDE9A (0.44) PNPMEN1LMNAPOLBHTT
SCHEMBL8799469 0.82 ALDH1A1 (0.55) PNPSMN1; SMN2ALDH1A1HPGD
SCHEMBL6357936 0.75 LMNA (0.44) PNPMEN1LMNAPOLBHTT
SCHEMBL2778421 0.74 KMT2A (0.46) MEN1LMNAPOLBHTTKMT2A
SCHEMBL6358370 0.72 PNP (0.42) PNPTYMS
SCHEMBL7113260 0.71 ALDH1A1 (0.53) PNPMEN1LMNAPOLBHTT
SCHEMBL5789117 0.67 ALDH1A1 (0.51) MEN1POLBHTTKMT2ASMN1; SMN2
SCHEMBL3670393 0.66 PNP (0.70) PNPMEN1LMNAPOLBHTT
SCHEMBL2952786 0.65 BRD4 (0.59) MEN1LMNAPOLBKMT2AALDH1A1
SCHEMBL22119185 0.65 PDE9A (0.55) PNPMEN1LMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1518854-A1 Substituted 06- benzylguanines and 7- or 9- substituted 8-aza-06-benzylguanines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2005-03-30 EP claimed
US-20020013299-A1 Substituted O6-benzyl-8-aza-guanines THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-01-31 US claimed
EP-1142893-A1 Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-10-10 EP claimed
EP-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP claimed
WO-1996004281-A1 SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-15 WO claimed
EP-1518854-A1 Substituted 06- benzylguanines and 7- or 9- substituted 8-aza-06-benzylguanines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2005-03-30 EP disclosed
US-6436945-B2 FOR ENHANCING THE CHEMOTHERAPEUTIC TREATMENT OF TUMOR CELLS IN A MAMMAL WITH AN ANTINEOPLASTIC ALKYLATING AGENT, WHICH CAUSES CYTOTOXIC LESIONS AT THE O6-POSITION OF GUANINE; O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) INACTIVATOR THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF HEALTH AND HUMAN SERVICES 2002-08-20 US disclosed
US-20020013299-A1 Substituted O6-benzyl-8-aza-guanines THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-01-31 US disclosed
US-6333331-B1 USEFUL IN INACTIVATING THE HUMAN DNA REPAIR PROTEIN O.SUP.6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE; ANTICANCER AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-12-25 US disclosed
EP-1142893-A1 Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-10-10 EP disclosed
EP-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP disclosed
WO-1996004281-A1 SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-15 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-20020013299-A1 Substituted O6-benzyl-8-aza-guanines OGG1, UNG, AGT PNP 60/4885MEN1 3518/4885LMNA 2790/4885

“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.