SCHEMBL278968

SCHEMBL278968

CCCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)C(CC)Cc2c1[nH]c1ccccc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.69
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
MDH2 P40926 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL274613 0.91 NR1H4 (0.57) NR1H4KDM4EHSD17B10CCNB2CDK1
SCHEMBL275763 0.91 NR1H4 (0.57) NR1H4KDM4EHSD17B10CCNB2CDK1
SCHEMBL274734 0.90 NR1H4 (0.56) NR1H4ABCB1ABCG2
SCHEMBL29881127 0.90 NR1H4 (0.70) NR1H4POLBKDM4EHSD17B10CCNB2
SCHEMBL273732 0.90 NR1H4 (0.70) NR1H4POLBKDM4EHSD17B10CCNB2
SCHEMBL279143 0.85 NR1H4 (0.65) NR1H4POLBKDM4EHSD17B10
SCHEMBL274556 0.83 NR1H4 (0.69) NR1H4POLBKDM4ECDK4CCND1
SCHEMBL29880972 0.82 NR1H4 (0.59) NR1H4CCNB2CDK1CCNB1MDH2
SCHEMBL274815 0.82 NR1H4 (0.59) NR1H4CCNB2CDK1CCNB1MDH2
SCHEMBL273220 0.82 NR1H4 (1.00) NR1H4POLBKDM4EHSD17B10CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 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 (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-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885POLB 4837/4885KDM4E 4561/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885POLB 4706/4885KDM4E 4534/4885

“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.