SCHEMBL4082983

SCHEMBL4082983

N#Cc1ccc2c(c1)c(-c1ccc3cc(OCCC4CCCC4)ccc3c1)nn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CTSS P25774 5/20 0.36
CMKLR1 Q99788 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.34
ATR Q13535 2/20 0.33
KDM1A O60341 1/20 0.33
NFE2L2 Q16236 1/20 0.33
SRC P12931 1/20 0.33
MGAT2 Q10469 1/20 0.33

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
SCHEMBL4083901 0.90 CMKLR1 (0.36) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL4089935 0.90 CMKLR1 (0.40) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL4091084 0.90 TBK1 (0.41)
SCHEMBL4083874 0.89 SCN7A (0.42) KCNH2
SCHEMBL4085342 0.88 TBK1 (0.40)
SCHEMBL4083905 0.88 HRH3 (0.44) SLC6A2SLC6A4SLC6A3CMKLR1ATR
SCHEMBL4079425 0.87 HRH3 (0.47) CMKLR1ATR
SCHEMBL4094652 0.87 RAB9A (0.37) CMKLR1RXRARXRBRXRGATR
SCHEMBL4085020 0.87 HRH3 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL4084249 0.87 HRH1 (0.39) SLC6A2SLC6A4SLC6A3CYP4F2CYP4A11

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
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 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 (3 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG SLC6A2 4602/4885SLC6A4 4424/4885SLC6A3 4823/4885
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 SLC6A2 4227/4885SLC6A4 2787/4885SLC6A3 1984/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 SLC6A2 4266/4885SLC6A4 2832/4885SLC6A3 1850/4885

“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.