SCHEMBL5545653

SCHEMBL5545653

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.40
GRIN1 Q05586 6/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CNR2 P34972 2/20 0.35

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 0.94 GRIN2B (0.45) GRIN2BGRIN1POLBL3MBTL1KDM4E
SCHEMBL5545763 0.91 L3MBTL1 (0.42) GRIN2BGRIN1POLBL3MBTL1KDM4E
SCHEMBL5547133 0.91 L3MBTL1 (0.41) GRIN2BGRIN1POLBL3MBTL1KDM4E
SCHEMBL5543265 0.91 GRIN2B (0.43) GRIN2BGRIN1POLBL3MBTL1KDM4E
SCHEMBL5545368 0.90 L3MBTL1 (0.40) POLBL3MBTL1TP53MEN1KMT2A
SCHEMBL5547226 0.90 L3MBTL1 (0.41) GRIN2BGRIN1POLBL3MBTL1KDM4E
SCHEMBL5547220 0.90 GRIN2B (0.44) GRIN2BGRIN1POLBL3MBTL1KDM4E
SCHEMBL5545301 0.89 KDM4E (0.47) GRIN2BGRIN1L3MBTL1KDM4ETP53
SCHEMBL4584216 0.89 L3MBTL1 (0.44) GRIN2BGRIN1POLBL3MBTL1KDM4E
SCHEMBL5540799 0.88 MAPT (0.43) GRIN2BGRIN1POLBL3MBTL1KDM4E

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 1445/4885POLB 113/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GRIN2B 4036/4885GRIN1 3219/4885POLB 115/4885

“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.