SCHEMBL1906239

SCHEMBL1906239

Brc1ccc2c(c1)OCOC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
AHR P35869 4/20 0.40
MAOB P27338 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
NPR1 P16066 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 3/20 0.33
PNMT P11086 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
CHEK2 O96017 1/20 0.32
ROS1 P08922 1/20 0.32
MARK3 P27448 1/20 0.32
LTK P29376 1/20 0.32

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
SCHEMBL9518303 0.84 BLM (0.46) BLMLMNAMAPTHTTAHR
SCHEMBL994489 0.76 MAPT (0.44) LMNAMAPTCYP1A2CYP3A4TDP1
SCHEMBL30338444 0.76 APEX1 (0.34) MAPTTDP1MEN1NPC1RAB9A
SCHEMBL90933 0.76 MMP12 (0.36) LMNAMAPTHTTCYP1A2MEN1
SCHEMBL1046470 0.76 ALOX5 (0.30)
SCHEMBL3331065 0.76 CYP3A4 (0.55) MAPTMAOBCYP3A4RAB9A
SCHEMBL5373991 0.76 ALOX5 (0.30)
SCHEMBL6490064 0.76 ADRA2A (0.36) PNMT
SCHEMBL11816254 0.75 AHR (0.43) BLMLMNAMAPTHTTAHR
SCHEMBL12188934 0.72 PARP1 (0.41) MAPTCYP1A2CYP3A4MEN1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738632-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-08-22 US disclosed
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-03-23 US disclosed
US-9512110-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2016-12-06 US disclosed
EP-2291369-B1 BENZODIOXINYL SUBSTITUTED INDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2015-11-04 EP disclosed
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2015-03-19 US disclosed
US-8916600-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2014-12-23 US disclosed
EP-2620435-A1 Phenyl and benzodioxinyl substituted indazole derivatives Astrazeneca AB (SE) 2013-07-31 EP disclosed
US-20120302617-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives ASTRAZENECA AB (SE) 2012-11-29 US disclosed
US-8211930-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2012-07-03 US disclosed
WO-2011061527-A1 COMBINATIONS COMPRISING A GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-05-26 WO disclosed
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 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 (4 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-20120302617-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, CYP4X1, CYP3A7 BLM 1314/4885LMNA 1746/4885MAPT 3267/4885
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES CYP3A5, ABCB1, CYP4X1 BLM 995/4885LMNA 1359/4885MAPT 3351/4885
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, ABCB1, CYP4X1 BLM 995/4885LMNA 1359/4885MAPT 3351/4885
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives CYP3A5, ABCB1, CYP4X1 BLM 995/4885LMNA 1359/4885MAPT 3351/4885

“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.