SCHEMBL7697845

SCHEMBL7697845

c1ccc(COc2ccncn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
F2 P00734 2/20 0.44
LTA4H P09960 1/20 0.43
MAPK14 Q16539 1/20 0.43
PKM P14618 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2B Q13224 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL8951615 0.83 ABCB1 (0.50) ABCB1LTA4HMAPK14TSHRLMNA
SCHEMBL27581698 0.81 MAOB (0.43) CYP2C19PTGS1PTGS2CYP19A1ALDH1A1
SCHEMBL28306969 0.79 SMN1; SMN2 (0.51) LMNACYP2C19CYP1A2ALDH1A1NPC1
SCHEMBL223680 0.78 ALDH1A1 (0.61) LTA4HMAPK14PKMTSHRLMNA
SCHEMBL29816629 0.78 ALDH1A1 (0.61) LTA4HMAPK14PKMTSHRLMNA
SCHEMBL29430291 0.78 MAOB (0.47) MAOB
SCHEMBL10376804 0.77 KMT2A (0.49) GRIN2BTSHRLMNASLC6A2SLC6A3
SCHEMBL6040156 0.76 IDO1 (0.53) MAPK14MAPTL3MBTL1MAOAMAOB
SCHEMBL27813500 0.75 HSP90AA1 (0.38) ABCB1F2GRIN2BCYP2C19ALDH1A1
SCHEMBL953509 0.74 F2 (0.65) ABCB1F2KCNH2GRIN2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100386115-C Anti-cancer medicine composition QINGZHONG KONG (CN) 2008-05-07 CN disclosed
CN-1628853-A Anti-cancer medicine composition KONG QINGZHONG (CN) 2005-06-22 CN 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
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

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 ABCB1 162/4885F2 4660/4885LTA4H 2861/4885

“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.