SCHEMBL5547220

SCHEMBL5547220

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCOC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.44
GRIN1 Q05586 6/20 0.44
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL5538439 0.96 GRIN2B (0.45) GRIN2BGRIN1F2PRSS1PRSS2
SCHEMBL5547133 0.93 L3MBTL1 (0.41) GRIN2BGRIN1F2PRSS1PRSS2
SCHEMBL5543265 0.93 GRIN2B (0.43) GRIN2BGRIN1F2PRSS1PRSS2
SCHEMBL5545763 0.92 L3MBTL1 (0.42) GRIN2BGRIN1F2PRSS1PRSS2
SCHEMBL5546671 0.91 L3MBTL1 (0.42) GRIN2BGRIN1F2PRSS1PRSS2
SCHEMBL5540799 0.90 MAPT (0.43) GRIN2BGRIN1F2PRSS1PRSS2
SCHEMBL5545873 0.90 L3MBTL1 (0.43) GRIN2BGRIN1F2PRSS1PRSS2
SCHEMBL5545653 0.90 GRIN2B (0.40) GRIN2BGRIN1F2PRSS1PRSS2
SCHEMBL5545426 0.89 L3MBTL1 (0.42) GRIN2BGRIN1L3MBTL1CNR2MEN1
SCHEMBL5545301 0.89 KDM4E (0.47) GRIN2BGRIN1KDM4ETP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 GRIN2B 1400/4885GRIN1 1445/4885F2 4806/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GRIN2B 4036/4885GRIN1 3219/4885F2 4716/4885

“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.