SCHEMBL14809136

SCHEMBL14809136

Cn1c(C(OC(C)(C)C)C(=O)O)c(-c2ccc(Cl)cc2)c2ccn(Cc3ccccc3)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
EGLN1 Q9GZT9 4/20 0.36
VEGFA P15692 2/20 0.36
CYP3A4 P08684 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL14810583 0.93 MEN1 (0.37) MAPTTP53HTTEGLN1ALDH1A1
SCHEMBL14810111 0.92 MAPT (0.39) MAPTTP53LMNAEGLN1VEGFA
SCHEMBL14809783 0.92 EGLN1 (0.36) MAPTTP53LMNAHTTEGLN1
SCHEMBL14809836 0.91 MAPT (0.36) MAPTTP53LMNACYP3A4ALDH1A1
SCHEMBL16252239 0.90 CYP3A4 (0.34) EGLN1VEGFACYP3A4LIPG
SCHEMBL14810135 0.90 CYP3A4 (0.34) EGLN1VEGFACYP3A4LIPG
SCHEMBL14823828 0.89 CYP3A4 (0.36) CYP3A4LIPGALDH1A1KMT2AKDM4E
SCHEMBL16252243 0.89 CYP3A4 (0.36) MAPTCYP3A4LIPGALDH1A1KMT2A
SCHEMBL14810084 0.88 CYP3A4 (0.36) TP53LMNACYP3A4LIPGALDH1A1
SCHEMBL14809430 0.88 KCNH2 (0.37) MAPTTP53LMNAALDH1A1KDM4E

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 16 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 claimed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US claimed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 US claimed
EP-2757887-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-07-30 EP claimed
WO-2013043553-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-03-28 WO claimed
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 MAPT 1289/4885TP53 1070/4885LMNA 2516/4885

“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.