SCHEMBL6357813

SCHEMBL6357813

CC(C)(C)C(=O)OCn1c(Br)nc2c(=O)[nH]c(NCc3ccccc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.44
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
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMIGD3 P0DMS9 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
TYMS P04818 1/20 0.39
PIM1 P11309 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PNP P00491 3/20 0.38
CLPP Q16740 1/20 0.37

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
SCHEMBL6357934 0.85 PNP (0.41) PDE9AMEN1LMNAPOLBHTT
SCHEMBL2778421 0.82 KMT2A (0.46) PDE9AMEN1LMNAPOLBHTT
SCHEMBL6357209 0.77 PDE9A (0.54) PDE9AMEN1LMNAPOLBHTT
SCHEMBL8799469 0.74 ALDH1A1 (0.55) SMN1; SMN2HPGDPNP
SCHEMBL2780218 0.72 PNP (0.54) PNP
SCHEMBL6363327 0.68 PDE9A (0.51) PDE9AMEN1LMNAPOLBHTT
SCHEMBL21011260 0.66 PDE9A (0.53) PDE9APNP
SCHEMBL5789117 0.65 ALDH1A1 (0.51) MEN1POLBHTTKMT2ATSHR
SCHEMBL26968627 0.65 HSP90B1 (0.39) POLBADORA2AADORA2BADORA1PNP
SCHEMBL21011259 0.65 TDP1 (0.61) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 claimed
EP-0775142-B1 SUBSTITUTED O6 -BENZYLGUANINES US HEALTH (US) 2001-10-24 EP 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-0775142-B1 SUBSTITUTED O6 -BENZYLGUANINES US HEALTH (US) 2001-10-24 EP 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 PDE9A 742/4885MEN1 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.