SCHEMBL14935666

SCHEMBL14935666

O=c1cc(-c2cccnc2)nc(-c2ccccc2)[nH]1.[PbH2]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.73
KMT2A Q03164 1/20 0.62
CDC7 O00311 1/20 0.57
DBF4 Q9UBU7 1/20 0.57
CYP19A1 P11511 1/20 0.57
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 3/20 0.54
POLB P06746 1/20 0.54
NPY5R Q15761 1/20 0.52
XDH P47989 2/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
STAT1 P42224 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4C Q9H3R0 2/20 0.48
LDHA P00338 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
SCHEMBL5384455 0.98 GSK3B (0.75) GSK3BKMT2ACDC7DBF4CYP19A1
SCHEMBL5381426 0.91 GSK3B (0.78) GSK3BKMT2ACDC7DBF4CYP19A1
SCHEMBL5376063 0.87 GSK3B (0.76) GSK3BKMT2ACDC7DBF4CYP19A1
SCHEMBL4822785 0.85 GSK3B (0.84) GSK3BKMT2ACDC7DBF4MAPT
SCHEMBL5381549 0.84 GSK3B (1.00) GSK3BCDC7DBF4MAPTGAA
SCHEMBL2239607 0.84 CYP2A6 (0.59) GSK3BKMT2ACDC7DBF4CYP19A1
SCHEMBL29310490 0.82 GSK3B (0.79) GSK3BKMT2ACDC7DBF4MAPT
SCHEMBL5385544 0.79 GSK3B (0.64) GSK3BKMT2ACDC7DBF4MAPT
SCHEMBL5400045 0.78 GSK3B (0.69) GSK3BKMT2ACYP19A1HPGDXDH
SCHEMBL14935661 0.78 GSK3B (0.55) GSK3BKMT2ACDC7DBF4MAPT

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
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
WO-2013071232-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TBL-1 BINDING TO DISEASE-ASSOCIATED MOLECULES BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 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-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules TBL2, TBL3, TBL1XR1 GSK3B 752/4885KMT2A 4037/4885CDC7 1595/4885

“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.