Sugi Predict

Sugi Predict / Compounds / SCHEMBL4084727

SCHEMBL4084727

SCHEMBL4084727

CC(C)(C)Cc1n[nH]c(-c2ccc3[nH]nc(-c4ccc5cc(OCCc6ccccn6)ccc5c4)c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.39
▸ MAPK8 P45983 5/20 0.37
▸ CLK2 P49760 3/20 0.37
▸ DYRK1A Q13627 3/20 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
▸ 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
SCHEMBL4079640 0.84 DYRK1A (0.48) TTKMAPK8CLK2DYRK1AGAK
SCHEMBL4085294 0.82 CLK2 (0.41) MAPK8CLK2DYRK1AGAKDYRK3
SCHEMBL4079772 0.82 ACHE (0.40) TTKMAPK8CLK2DYRK1AGAK
SCHEMBL4256190 0.80 TTK (0.37) TTKMAPK8CLK2DYRK1AGAK
SCHEMBL4089583 0.80 CLK2 (0.43) TTKMAPK8CLK2DYRK1AGAK
SCHEMBL13812028 0.79 CLK2 (0.41) MAPK8CLK2DYRK1AGAKDYRK3
SCHEMBL4307237 0.78 CLK2 (0.42) TTKMAPK8CLK2DYRK1AGAK
SCHEMBL4093716 0.77 NTRK1 (0.38) CLK2DYRK1ACSNK1DCLK3MAPKAPK2
SCHEMBL4084459 0.76 FGFR4 (0.45) TTKMAPK8CSNK1DFGFR1FGFR4
SCHEMBL4089678 0.76 TTK (0.45) TTKMAPK8CSNK1DFGFR1PDE3B

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 6 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
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
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 — — US disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 — — US disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 — — 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 (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 TTK 401/4885MAPK8 213/4885CLK2 654/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TTK 377/4885MAPK8 201/4885CLK2 674/4885

“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.