SCHEMBL3310952

SCHEMBL3310952

CC(C)(C)OC(=O)Cn1c(=O)[nH]c2cnccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ELANE P08246 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
KDM5A P29375 7/20 0.40
ADRA1B P35368 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
FEN1 P39748 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
DDR1 Q08345 2/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL2696822 0.86 KDM4E (0.45) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL13361513 0.84 KDM5A (0.51) KDM4EALDH1A1JAK2JAK3ADORA3
SCHEMBL3311829 0.83 CYP1A2 (0.57) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL27788914 0.80 ADRA1B (0.39) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL3311126 0.76 KDM4E (0.46) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL15157018 0.76 DAO (0.49) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL4547810 0.75 KDM5A (0.42) JAK2JAK1JAK3ADORA3ADORA2A
SCHEMBL22016540 0.75 ADORA3 (0.50) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL3315017 0.74 KDM4E (0.41) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL22017505 0.74 ADORA3 (0.50) KDM4EALDH1A1ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 US disclosed
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 KDM4E 3052/4885ALDH1A1 1798/4885ELANE 463/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 KDM4E 2815/4885ALDH1A1 1837/4885ELANE 462/4885

“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.