SCHEMBL5541220

SCHEMBL5541220

O=C(NCc1ccncc1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 2/20 0.44
KDM5A P29375 2/20 0.44
PARP1 P09874 1/20 0.43
NAMPT P43490 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK14 Q16539 1/20 0.41
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
STAMBP O95630 1/20 0.39
COPS5 Q92905 1/20 0.39

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
SCHEMBL13851065 0.91 KMT2A (0.57) TDP1MEN1KMT2ARXFP1L3MBTL1
SCHEMBL5547121 0.90 TDP1 (0.49) TDP1MEN1KMT2ARXFP1KDM5A
SCHEMBL5547384 0.86 ALDH1A1 (0.55) TDP1MEN1KMT2ARXFP1L3MBTL1
SCHEMBL5538646 0.85 TDP1 (0.47) TDP1MEN1KMT2ARXFP1HSD17B10
SCHEMBL5548065 0.85 KDM5A (0.49) TDP1MEN1KMT2ARXFP1KDM5A
SCHEMBL15163541 0.85 TDP1 (0.48) TDP1MEN1KMT2ARXFP1L3MBTL1
SCHEMBL6061942 0.84 TDP1 (0.46) TDP1MEN1KMT2ARXFP1HSD17B10
SCHEMBL15163542 0.84 TDP1 (0.48) TDP1MEN1KMT2ARXFP1L3MBTL1
SCHEMBL4760071 0.84 TDP1 (0.46) TDP1MEN1KMT2ARXFP1HSD17B10
SCHEMBL5547305 0.84 TDP1 (0.48) TDP1MEN1KMT2ARXFP1KDM5A

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 18 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 claimed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP claimed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO claimed
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
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 TDP1 801/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TDP1 575/4885MEN1 4837/4885KMT2A 819/4885

“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.