SCHEMBL272876

SCHEMBL272876

c1ccc2c(c1)NCCc1c-2[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
CCNT1 O60563 2/20 0.55
CCNB2 O95067 2/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNA2 P20248 2/20 0.55
CDK2 P24941 2/20 0.55
CDK9 P50750 2/20 0.55
CCNA1 P78396 2/20 0.55
CDK5 Q00535 2/20 0.55
CDK5R1 Q15078 2/20 0.55
CCNB3 Q8WWL7 2/20 0.55
GSK3B P49841 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55

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
SCHEMBL29908708 1.00 MEN1 (0.61) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL4552964 0.84 CDK1 (0.62) MEN1KMT2AKDM4ECYP1A2HTT
SCHEMBL20524901 0.84 CDK5 (0.62) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL20524909 0.82 GSK3B (0.65) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL13837458 0.76 MEN1 (0.65) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL797563 0.76 KDM4E (1.00) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL20524896 0.74 KDM4E (0.54) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL12126575 0.74 CA1 (0.71) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL30063877 0.74 CA1 (0.71) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL1394921 0.71 CCNB2 (0.71) MEN1KMT2AKDM4ECYP1A2HPGD

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-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
EP-2136626-A1 MANNICH BASE N-OXIDE DRUGS State of Oregon acting by and through the Oregon State Board of Higher Education on behalf of the University of Oregon (US) 2009-12-30 EP 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
WO-2008115499-A1 MANNICH BASE N-OXIDE DRUGS STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2008-09-25 WO 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 MEN1 2235/4885KMT2A 4638/4885KDM4E 4534/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C MEN1 2447/4885KMT2A 4330/4885KDM4E 4561/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR MEN1 2235/4885KMT2A 4638/4885KDM4E 4534/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR MEN1 4114/4885KMT2A 4077/4885KDM4E 4581/4885

“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.