SCHEMBL4084899

SCHEMBL4084899

COc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(C(C)C6CCNCC6)n5)cc34)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ITK Q08881 7/20 0.38
TTK P33981 2/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
CCNB2 O95067 1/20 0.38
ABL1 P00519 1/20 0.38
CDK1 P06493 1/20 0.38
PDGFRB P09619 1/20 0.38
CDK4 P11802 1/20 0.38
SRC P12931 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL4084918 0.80 LRRK2 (0.43) HTR2AHTR2CHTR2BITKTTK
SCHEMBL4090728 0.77 TLR9 (0.45) TLR9TLR8TLR7HTR2AHTR2C
SCHEMBL4084208 0.77 TTK (0.46) HTR2AHTR2CHTR2BITKTTK
SCHEMBL4083523 0.76 CSNK1D (0.44) HTR2AHTR2CHTR2BITKTTK
SCHEMBL5383383 0.73 TTK (0.46) HTR2AHTR2CHTR2BITKTTK
SCHEMBL4084893 0.73 ADORA2A (0.52) TTKLRRK2CLK2CLK3DYRK1A
SCHEMBL4080007 0.72 CSNK1D (0.49) HTR2AHTR2CHTR2BITKTTK
SCHEMBL4080009 0.72 CSNK1D (0.49) HTR2AHTR2CHTR2BITKTTK
SCHEMBL5372615 0.72 CSNK1D (0.54) HTR2AHTR2CHTR2BITKTTK
SCHEMBL4080247 0.72 LRRK2 (0.52) HTR2AHTR2CHTR2BITKTTK

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 3 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
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 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.