SCHEMBL6629492

SCHEMBL6629492

O=C(NCc1nc2ccccc2[nH]1)c1cc2sc(Cl)c(Cl)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPK10 P53779 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.51
RAB9A P51151 1/20 0.51
PYGL P06737 7/20 0.50
KMT2A Q03164 1/20 0.48
SLC40A1 Q9NP59 4/20 0.48
PTGS2 P35354 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL6628918 0.82 PYGL (0.51) PYGL
SCHEMBL6654655 0.80 PYGL (0.49) POLBPYGLMAPT
SCHEMBL6630757 0.80 PYGL (0.61) PYGLMAPT
SCHEMBL2107800 0.74 POLB (0.53) TSHRMAPK10SMN1; SMN2POLBRAB9A
SCHEMBL6631167 0.73 PYGL (0.56) PYGL
SCHEMBL6629383 0.73 PYGL (0.59) SMN1; SMN2RAB9APYGLMAPT
SCHEMBL6632175 0.73 GAA (0.49) SMN1; SMN2RAB9APYGLMAPT
SCHEMBL6630265 0.73 PYGL (0.54) PYGL
SCHEMBL6630827 0.73 PYGL (0.56) PYGLKMT2A
SCHEMBL6630418 0.73 PYGL (0.57) PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP claimed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US claimed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL TSHR 1190/4885MAPK10 1824/4885SMN1; SMN2 2364/4885

“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.