SCHEMBL8257635

SCHEMBL8257635

CC(C)(C)c1nc(-c2ccc3[nH]nc(-c4cccc(OCCNC5CCCCC5)c4)c3c2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.45
MAPK8 P45983 2/20 0.45
CLK2 P49760 2/20 0.45
GAK O14976 1/20 0.45
DYRK3 O43781 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
NQO2 P16083 1/20 0.45
CSNK2A2 P19784 1/20 0.45
FECH P22830 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
CLK1 P49759 1/20 0.45
GSK3B P49841 1/20 0.45
JAK3 P52333 1/20 0.45

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
SCHEMBL5383603 0.82 CLK2 (0.67) DYRK1AMAPK8CLK2GAKDYRK3
SCHEMBL5386760 0.81 CLK2 (0.61) DYRK1AMAPK8CLK2GAKDYRK3
SCHEMBL5387438 0.77 CLK2 (0.56) DYRK1AMAPK8CLK2GAKDYRK3
SCHEMBL13812098 0.74 CLK2 (0.56) DYRK1AMAPK8CLK2GAKDYRK3
SCHEMBL4079299 0.74 CLK2 (0.56) DYRK1AMAPK8CLK2GAKDYRK3
SCHEMBL4084375 0.73 CLK2 (0.54) DYRK1AMAPK8CLK2GAKDYRK3
SCHEMBL13877025 0.72 CHRNB4 (0.47)
SCHEMBL5378095 0.71 CLK2 (0.65) DYRK1AMAPK8CLK2GAKDYRK3
SCHEMBL5380287 0.69 MAPK8 (0.71) DYRK1AMAPK8CLK2GAKDYRK3
SCHEMBL13812267 0.68 PTPN1 (0.40) MAPK8CSNK1DKDM4EALDH1A1WNT1

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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R DYRK1A 426/4885MAPK8 91/4885CLK2 398/4885

“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.