SCHEMBL5548065

SCHEMBL5548065

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
GSK3B P49841 1/20 0.42
PARP1 P09874 6/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MITF O75030 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
SERPINE1 P05121 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GPER1 Q99527 1/20 0.36
PARP6 Q2NL67 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36

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
SCHEMBL5546956 0.90 TDP1 (0.45) KDM5ATDP1GSK3BPARP1MEN1
SCHEMBL15163541 0.89 TDP1 (0.48) KDM5ATDP1GSK3BMEN1KMT2A
SCHEMBL15163542 0.88 TDP1 (0.48) KDM5ATDP1GSK3BMEN1KMT2A
SCHEMBL5547305 0.88 TDP1 (0.48) KDM5ATDP1GSK3BPARP1MEN1
SCHEMBL5538646 0.88 TDP1 (0.47) KDM5ATDP1GSK3BMEN1KMT2A
SCHEMBL5546882 0.87 TDP1 (0.47) KDM5ATDP1GSK3BPARP1MEN1
SCHEMBL5545377 0.87 TDP1 (0.43) KDM5ATDP1GSK3BMEN1KMT2A
SCHEMBL5545550 0.87 TDP1 (0.43) KDM5ATDP1GSK3BMEN1KMT2A
SCHEMBL5543155 0.87 TDP1 (0.47) KDM5ATDP1GSK3BPARP1MEN1
SCHEMBL5546031 0.87 TDP1 (0.52) KDM5ATDP1GSK3BPARP1MEN1

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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 KDM5A 2056/4885TDP1 801/4885GSK3B 2347/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM5A 1439/4885TDP1 575/4885GSK3B 461/4885

“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.