SCHEMBL14809387

SCHEMBL14809387

COC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2ccn(Cc3ccccc3)c2c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.40
EGLN1 Q9GZT9 8/20 0.38
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34

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
SCHEMBL14810125 0.80 MAPK8 (0.46) MAPK8EGLN1KDM4E
SCHEMBL12499481 0.80 ALDH1A1 (0.43) MAPK8KDM4EBRD4
SCHEMBL14810395 0.79 MAPK8 (0.46) MAPK8EGLN1BRD4BRD2BRD3
SCHEMBL14809673 0.75 MAPK8 (0.52) MAPK8EGLN1
SCHEMBL4713112 0.73 MAPK8 (0.59) MAPK8
SCHEMBL3494295 0.67 MAOB (0.38) EGLN1KDM4E
SCHEMBL4709143 0.66 MAPK8 (0.55) MAPK8
SCHEMBL5234705 0.66 MAPK8 (0.44) MAPK8
SCHEMBL5234417 0.65 ADORA1 (0.38) KDM4E
SCHEMBL5240374 0.65 ALDH1A1 (0.43) MAPK8KDM4E

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
EP-2757887-B1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LTD (GB) 2017-04-26 EP disclosed
EP-2757887-B1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LTD (GB) 2017-04-26 EP disclosed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US disclosed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US disclosed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 US disclosed
EP-2757887-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-07-30 EP disclosed
WO-2013043553-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-03-28 WO disclosed
WO-2013043553-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-03-28 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 (1 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-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV DHPS, PRNP, TYMP MAPK8 1388/4885EGLN1 425/4885KDM4E 452/4885

“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.