SCHEMBL4094963

SCHEMBL4094963

COc1ccc2cc(-c3n[nH]c4ccc(-c5nc(CNC(=O)OC(C)(C)C)n[nH]5)cc34)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRK6 P43250 1/20 0.41
ITK Q08881 4/20 0.40
DYRK1A Q13627 1/20 0.39
FLT3 P36888 2/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
TTK P33981 2/20 0.38
BTK Q06187 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ROCK2 O75116 1/20 0.38
MAPK8 P45983 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL13811890 0.81 GRK6 (0.46) GRK6ITKDYRK1APRKAG1PRKAA1
SCHEMBL4089492 0.79 TTK (0.46) GRK6ITKFLT3PRKAG1PRKAA1
SCHEMBL13811892 0.75 LRRK2 (0.50) GRK6ITKPRKAG1PRKAA1PRKAB1
SCHEMBL4084647 0.73 CLK2 (0.46) HSD17B10ITKDYRK1ATTKKDM4E
SCHEMBL13812021 0.73 TTK (0.39) GRK6ITKFLT3PRKAG1PRKAA1
SCHEMBL4085679 0.73 LRRK2 (0.42) GRK6ITKDYRK1ATTKMAPK8
SCHEMBL13890795 0.72 GRK6 (0.37) GRK6ITKFLT3PRKAG1PRKAA1
SCHEMBL4079654 0.71 FLT3 (0.55) ITKFLT3TTKBTKROCK2
SCHEMBL13812153 0.71 GSK3B (0.47) DYRK1ATTK
SCHEMBL4084381 0.71 GSK3B (0.46) GRK6ITKROCK2ROCK1MAPT

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 CYP1A2 3328/4885GFER 2879/4885HSD17B10 4003/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CYP1A2 3402/4885GFER 2799/4885HSD17B10 4007/4885

“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.