SCHEMBL4085679

SCHEMBL4085679

COc1ccc2cc(-c3n[nH]c4ccc(-c5nc(CN6CCNCC6)n[nH]5)cc34)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NTRK1 P04629 1/20 0.39
TTK P33981 1/20 0.38
CSNK1D P48730 2/20 0.38
MCHR1 Q99705 1/20 0.38
ITK Q08881 1/20 0.38
GAK O14976 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
NQO2 P16083 1/20 0.38
CSNK2A2 P19784 1/20 0.38
FECH P22830 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
MAPK8 P45983 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
SCHEMBL4084647 0.91 CLK2 (0.46) LRRK2TTKCSNK1DMCHR1ITK
SCHEMBL4084381 0.89 GSK3B (0.46) LRRK2MCHR1ITKMAP4K4GSK3B
SCHEMBL13811892 0.87 LRRK2 (0.50) LRRK2TTKITKCLK2GSK3B
SCHEMBL13811890 0.82 GRK6 (0.46) LRRK2HTR2AHTR2CHTR2BTTK
SCHEMBL4089492 0.82 TTK (0.46) LRRK2HTR2AHTR2CHTR2BTTK
SCHEMBL13811889 0.82 HRH3 (0.43) LRRK2CSNK1DITKGAKDYRK3
SCHEMBL13812149 0.81 LRRK2 (0.39) LRRK2HTR2AHTR2CHTR2BTTK
SCHEMBL13812153 0.80 GSK3B (0.47) LRRK2TTKCLK2GSK3BDYRK1A
SCHEMBL4179171 0.79 CSNK1D (0.38) LRRK2CSNK1DGAKDYRK3JAK2
SCHEMBL4084821 0.79 CSNK1D (0.57) CSNK1DGAKDYRK3JAK2PRKD3

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 7 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-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 LRRK2 553/4885HTR2A 3718/4885HTR2C 3028/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 LRRK2 563/4885HTR2A 3777/4885HTR2C 3002/4885

“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.