SCHEMBL17015126

SCHEMBL17015126

O=C1CSc2scnc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CA2 P00918 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ADAMTS5 Q9UNA0 5/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL17007593 0.69 GSK3A (0.40) GSK3AGSK3BGAAMGAMSI
SCHEMBL17007592 0.67 GAA (0.41) GSK3AGSK3BGAAMGAMSI
SCHEMBL19119343 0.64
SCHEMBL709306 0.63 CYP11B1 (0.46) GSK3AGSK3BGAAMGAMSI
SCHEMBL4142652 0.62 PDE3B (0.52) GSK3AGSK3BGAAMGAMSI
Hydrochloric Acid SCHEMBL6993968 0.61 MAOA (0.43) GSK3AGSK3BGAAMGAMSI
SCHEMBL18543789 0.61 PDE3B (0.34) GSK3AGSK3BGAAMGAMSI
SCHEMBL12232732 0.61 EPHX2 (0.54) GSK3AGSK3BGAAMGAMSI
SCHEMBL13424560 0.61 PDE3B (0.48) GSK3AGSK3BGAAMGAMSI
SCHEMBL8340212 0.61 PDE3B (0.42) GSK3AGSK3BGAAMGAMSI

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-9533999-B2 Fused thiazin-3-ones as KCA3.1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-03 US disclosed
US-20150232484-A1 FUSED THIAZIN-3-ONES AS KCA3.1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-20 US disclosed
US-20150232484-A1 FUSED THIAZIN-3-ONES AS KCA3.1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-20 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-20150232484-A1 FUSED THIAZIN-3-ONES AS KCA3.1 INHIBITORS KCNA3, KCNK3, KCNN3 GSK3A 1424/4885GSK3B 1528/4885GAA 1475/4885

“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.