SCHEMBL3259453

SCHEMBL3259453

O=C(O)c1ccn(-c2ccc(-n3ccnc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 8/20 0.69
CYP3A4 P08684 2/20 0.59
BAZ2B Q9UIF8 1/20 0.59
HTT P42858 2/20 0.55
ENPP2 Q13822 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
MEN1 O00255 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
TBXAS1 P24557 2/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL62049 0.86 ADH5 (0.90) ADH5CYP3A4BAZ2BHTTENPP2
SCHEMBL27893085 0.85 ADH5 (0.87) ADH5CYP3A4BAZ2BHTTENPP2
Hydrochloric Acid SCHEMBL6152702 0.85 ADH5 (0.87) ADH5CYP3A4BAZ2BHTTENPP2
SCHEMBL17630068 0.82 ADH5 (1.00) ADH5CYP3A4BAZ2BHTTENPP2
SCHEMBL364087 0.78 ADH5 (0.75) ADH5CYP3A4BAZ2BHTTENPP2
SCHEMBL10574724 0.78 CYP3A4 (0.74) ADH5CYP3A4BAZ2BHTTENPP2
SCHEMBL2336592 0.77 COMT (0.53) TSHR
SCHEMBL2532397 0.76 LMNA (0.78) ADH5CYP3A4BAZ2BHTTENPP2
SCHEMBL4645055 0.76 TUBB4A (0.54) ADH5KMT2ALMNANOTUM
SCHEMBL3260484 0.76 TUBB4A (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 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-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB ADH5 1706/4885CYP3A4 2606/4885BAZ2B 1709/4885

“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.