Sugi Predict

Sugi Predict / Compounds / SCHEMBL4083585

SCHEMBL4083585

SCHEMBL4083585

CC(C)Cc1n[nH]c(-c2ccc3[nH]nc(-c4ccc5cc(OCCN(C(C)C)C(C)C)ccc5c4)c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.41
▸ TTK P33981 5/20 0.37
▸ MAPK8 P45983 4/20 0.37
▸ GAK O14976 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ FECH P22830 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL4079886 0.91 ACHE (0.42) ACHETTKMAPK8GAKDYRK3
SCHEMBL4079772 0.89 ACHE (0.40) ACHETTKMAPK8GAKDYRK3
SCHEMBL4084685 0.86 DYRK1A (0.46) ACHEMAPK8GAKDYRK3JAK2
SCHEMBL13812057 0.84 ACHE (0.39) ACHETTKMAPK8GAKDYRK3
SCHEMBL4165527 0.84 CLK2 (0.53) MAPK8GAKDYRK3JAK2PRKD3
SCHEMBL4179138 0.82 CLK2 (0.43) TTKMAPK8GAKDYRK3JAK2
SCHEMBL4256190 0.81 TTK (0.37) ACHETTKMAPK8GAKDYRK3
SCHEMBL4084164 0.81 CLK2 (0.42) MAPK8GAKDYRK3JAK2PRKD3
SCHEMBL4261174 0.81 CLK2 (0.42) TTKMAPK8GAKDYRK3JAK2
SCHEMBL13812105 0.79 ACHE (0.38) ACHETTKMAPK8CSNK1DBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 — — EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 — — US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 — — EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 — — US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 — — WO 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 ACHE 676/4885TTK 401/4885MAPK8 213/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ACHE 723/4885TTK 377/4885MAPK8 201/4885

“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.