SCHEMBL4084381

SCHEMBL4084381

COc1ccc2cc(-c3n[nH]c4ccc(-c5nc(CN6CCN(Cc7ccccc7)CC6)n[nH]5)cc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
SIGMAR1 Q99720 2/20 0.44
CDC7 O00311 4/20 0.43
ROCK2 O75116 3/20 0.43
MAP4K4 O95819 2/20 0.43
PIM1 P11309 2/20 0.43
CDK2 P24941 2/20 0.43
HIPK2 Q9H2X6 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
PRKACA P17612 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MCHR1 Q99705 2/20 0.42
ACHE P22303 1/20 0.41
BCHE P06276 1/20 0.41
ITK Q08881 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LRRK2 Q5S007 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL4084647 0.90 CLK2 (0.46) GSK3BMAP4K4CLK4MCHR1ITK
SCHEMBL4085679 0.89 LRRK2 (0.42) GSK3BMAP4K4CLK4MCHR1ITK
SCHEMBL13811892 0.86 LRRK2 (0.50) GSK3BITKALDH1A1LRRK2LMNA
SCHEMBL4089492 0.80 TTK (0.46) CDK2ITKLRRK2GRK6
SCHEMBL13811890 0.80 GRK6 (0.46) GSK3BCDK2ITKLRRK2GRK6
SCHEMBL13811889 0.80 HRH3 (0.43) GSK3BMAP4K4CLK4ITKLRRK2
SCHEMBL13812149 0.80 LRRK2 (0.39) ITKLRRK2MAPTGAAGRK6
SCHEMBL13811900 0.79 FGFR1 (0.52) GSK3BMAP4K4CLK4
SCHEMBL4169696 0.79 CSNK1D (0.47) GSK3BMAP4K4CLK4MCHR1
SCHEMBL13812153 0.78 GSK3B (0.47) GSK3BCDK2LRRK2

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 GSK3B 8/4885SIGMAR1 4084/4885CDC7 755/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 GSK3B 8/4885SIGMAR1 4094/4885CDC7 686/4885

“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.