SCHEMBL273047

SCHEMBL273047

O=C(NCc1ccccc1)C1CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.53
ABCG2 Q9UNQ0 3/20 0.53
CDK4 P11802 3/20 0.52
CCND1 P24385 3/20 0.52
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
MTHFD2 P13995 1/20 0.47
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL279154 0.87 CDK4 (0.56) ABCB1ABCG2CDK4CCND1LMNA
SCHEMBL276061 0.86 ABCG2 (0.60) ABCB1ABCG2CDK4CCND1LMNA
SCHEMBL273793 0.84 CDK4 (0.59) ABCB1ABCG2CDK4CCND1LMNA
SCHEMBL273496 0.81 NR1H4 (0.56) ABCB1ABCG2CDK4CCND1LMNA
SCHEMBL273794 0.77 CDK4 (0.56) ABCB1ABCG2CDK4CCND1LMNA
SCHEMBL273558 0.74 ABCG2 (0.52) ABCB1ABCG2CDK4CCND1MTHFD2
SCHEMBL275317 0.73 MAPT (0.51) ABCB1ABCG2CDK4CCND1MTHFD2
SCHEMBL6465789 0.72 ABCG2 (0.72) ABCB1ABCG2LMNATP53POLB
SCHEMBL274030 0.72 NR1H4 (0.67) ABCB1ABCG2CDK4CCND1LMNA
SCHEMBL13942726 0.72 CDK4 (0.93) CDK4CCND1

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-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
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-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-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR ABCB1 1261/4885ABCG2 525/4885CDK4 1220/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C ABCB1 847/4885ABCG2 389/4885CDK4 1808/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR ABCB1 1261/4885ABCG2 525/4885CDK4 1220/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR ABCB1 2900/4885ABCG2 1750/4885CDK4 4142/4885

“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.