SCHEMBL3315017

SCHEMBL3315017

CC(C)(C)OC(=O)Cn1c(=O)[nH]c2ccnc(Cl)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ELANE P08246 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
FPR2 P25090 2/20 0.36
ATR Q13535 1/20 0.35
CDK9 P50750 1/20 0.35
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
F2 P00734 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
USP1 O94782 1/20 0.31

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
SCHEMBL27767326 0.81 RXFP1 (0.32) ATRRXFP1HSD17B13
SCHEMBL3311126 0.77 KDM4E (0.46) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL3310952 0.74 KDM4E (0.43) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL31160911 0.74 KDM4E (0.43) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL15157018 0.74 DAO (0.49) KDM4EALDH1A1ELANEJAK2JAK1
SCHEMBL3311829 0.73 CYP1A2 (0.57) KDM4EALDH1A1POLBKMT2A
SCHEMBL3591401 0.70 MEN1 (0.55) KDM4EALDH1A1POLBKMT2A
SCHEMBL31160897 0.69 GRIA1 (0.40) KDM4EALDH1A1POLBGRIN1GRIN2B
SCHEMBL22090020 0.69 KDM4E (0.53) KDM4EALDH1A1GRIN1GRIN2B
SCHEMBL22994560 0.68 ACACA (0.40)

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.