SCHEMBL2768787

SCHEMBL2768787

CNc1nc2[nH]c(-c3cccc(CNC(=O)CNC(C)=O)c3)cc2c2c1ncn2C

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.90
CHUK O15111 13/20 0.90
RET P07949 1/20 0.59
CYP2C9 P11712 1/20 0.59
EPHA1 P21709 1/20 0.59
FLT4 P35916 1/20 0.59
KDR P35968 1/20 0.59
EPHB1 P54762 1/20 0.59
PTK6 Q13882 1/20 0.59
CDK2 P24941 1/20 0.58
BTK Q06187 1/20 0.58
ITK Q08881 1/20 0.58
IKBKE Q14164 1/20 0.58

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
Acetamide SCHEMBL3550862 0.98 IKBKB (0.86) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2768248 0.95 IKBKB (1.00) IKBKBCHUKCDK2BTKITK
SCHEMBL2768217 0.93 IKBKB (0.87) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2766541 0.91 IKBKB (1.00) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2766177 0.91 IKBKB (0.86) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2768682 0.91 IKBKB (0.85) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL3039640 0.90 IKBKB (0.79) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2765746 0.90 IKBKB (0.84) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2768097 0.90 IKBKB (0.88) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2768244 0.90 IKBKB (0.86) IKBKBCHUK

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
EP-2001887-B1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-09-15 EP disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
EP-1963324-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 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 (9 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-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 IKBKB 419/4885CHUK 1939/4885RET 803/4885
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials NQO2, PPOX, ASNS IKBKB 2650/4885CHUK 2168/4885RET 2937/4885
US-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 IKBKB 1580/4885CHUK 1187/4885RET 3341/4885
US-20080221110-A1 Compounds NRDC, NISCH, MRPL21 IKBKB 1580/4885CHUK 1187/4885RET 3341/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 IKBKB 419/4885CHUK 1939/4885RET 803/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ IKBKB 556/4885CHUK 409/4885RET 4287/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT IKBKB 457/4885CHUK 378/4885RET 3457/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 IKBKB 1644/4885CHUK 1154/4885RET 2839/4885
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials MRPL21, NACA, NISCH IKBKB 1541/4885CHUK 1120/4885RET 3991/4885

“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.