SCHEMBL2931901

SCHEMBL2931901

CC(C)(C)OC(=O)N1CCOc2cnc(C=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
BTK Q06187 1/20 0.44
USP30 Q70CQ3 2/20 0.41
PIK3CA P42336 2/20 0.39
FGFR4 P22455 3/20 0.38
CSNK2A1 P68400 2/20 0.37
CSNK2A2 P19784 1/20 0.37
GRM5 P41594 2/20 0.34
KDM1A O60341 1/20 0.33
NOTUM Q6P988 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL4141627 0.91 USP30 (0.43) EGFRBTKUSP30PIK3CAFGFR4
SCHEMBL12405526 0.83 EGFR (0.43) EGFRBTKUSP30PIK3CACSNK2A1
SCHEMBL30412730 0.83 EGFR (0.43) EGFRBTKUSP30PIK3CACSNK2A1
SCHEMBL12405532 0.83 EGFR (0.43) EGFRBTKUSP30PIK3CACSNK2A1
SCHEMBL2936534 0.81 EGFR (0.42) EGFRBTKUSP30PIK3CACSNK2A1
SCHEMBL2878054 0.80 EGFR (0.45) EGFRBTKUSP30KDM1ANOTUM
SCHEMBL30418523 0.80 EGFR (0.45) EGFRBTKUSP30KDM1ANOTUM
SCHEMBL2937583 0.78 EGFR (0.41) EGFRBTKUSP30PIK3CACSNK2A1
SCHEMBL28950688 0.77 USP30 (0.45) EGFRBTKUSP30PIK3CACSNK2A1
SCHEMBL21597010 0.77 GRM5 (0.47) EGFRBTKUSP30PIK3CAFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO 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
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 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 (5 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH EGFR 944/4885BTK 2520/4885USP30 4422/4885
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials NQO2, PPOX, ASNS EGFR 3998/4885BTK 3100/4885USP30 3065/4885
US-20080221110-A1 Compounds NRDC, NISCH, MRPL21 EGFR 891/4885BTK 3403/4885USP30 3885/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB EGFR 4751/4885BTK 3986/4885USP30 4377/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 EGFR 1531/4885BTK 3878/4885USP30 3792/4885

“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.