SCHEMBL3405645

SCHEMBL3405645

CC(CS)N(C(=O)Oc1ccncc1)c1ccc2ncsc2n1

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.30
DYRK3 O43781 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK4 Q9NR20 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL3408864 0.88 LIPE (0.35)
SCHEMBL3404966 0.86 MMP2 (0.36)
SCHEMBL3409347 0.85 CA2 (0.36)
SCHEMBL3409796 0.85 KMT2A (0.35)
SCHEMBL3405072 0.83 IRAK4 (0.32)
SCHEMBL3403848 0.82 ALDH1A1 (0.38)
SCHEMBL3407756 0.82 SMPD1 (0.34)
SCHEMBL2869557 0.80 GFER (0.40) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL3404349 0.78 IRAK4 (0.31) ABHD6
SCHEMBL3405643 0.72 CA2 (0.33)

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-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 ABHD6 704/4885DYRK3 1802/4885CLK1 3013/4885

“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.