SCHEMBL4090728

SCHEMBL4090728

COc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(C6CCCC6)n5)cc34)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.45
TLR8 Q9NR97 7/20 0.45
TLR7 Q9NYK1 7/20 0.45
ADORA2A P29274 1/20 0.43
ITK Q08881 2/20 0.42
AOC3 Q16853 3/20 0.42
TTK P33981 1/20 0.41
LRRK2 Q5S007 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL4084208 0.81 TTK (0.46) ITKTTKLRRK2HTR2AHTR2C
SCHEMBL4045622 0.80 CSNK1D (0.58) TLR9TLR8TLR7AOC3
SCHEMBL4080101 0.78 CSNK1D (0.52) ADORA2AITKLRRK2
SCHEMBL15117061 0.78 AOC3 (0.56) ADORA2AAOC3HTR2AHTR2CHTR2B
SCHEMBL5389332 0.78 CSNK1D (0.58) TLR9TLR8TLR7AOC3PIM1
SCHEMBL4080009 0.78 CSNK1D (0.49) ADORA2AITKTTKLRRK2HTR2A
SCHEMBL4080007 0.78 CSNK1D (0.49) ADORA2AITKTTKLRRK2HTR2A
SCHEMBL4084899 0.77 TLR9 (0.42) TLR9TLR8TLR7ITKTTK
SCHEMBL4085697 0.77 CSNK1D (0.51) ADORA2ALRRK2PIM2
SCHEMBL5246773 0.77 CSNK1D (0.68) ADORA2AITKTTKLRRK2HTR2A

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 8 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
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 TLR9 3255/4885TLR8 2453/4885TLR7 3019/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TLR9 3484/4885TLR8 2563/4885TLR7 3244/4885

“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.