SCHEMBL5541201

SCHEMBL5541201

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
CNR1 P21554 3/20 0.46
GRIN2B Q13224 10/20 0.45
GRIN1 Q05586 5/20 0.42
BRD4 O60885 1/20 0.42
THRB P10828 1/20 0.39
POLB P06746 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
SCHEMBL5547353 0.93 CNR2 (0.48) CNR2CNR1GRIN2BGRIN1POLB
SCHEMBL5545426 0.90 L3MBTL1 (0.42) CNR2CNR1GRIN2BGRIN1
SCHEMBL5548658 0.90 CNR2 (0.44) CNR2CNR1GRIN2BGRIN1POLB
SCHEMBL5545968 0.90 GRIN2B (0.44) CNR2CNR1GRIN2BGRIN1BRD4
SCHEMBL5543297 0.90 CNR2 (0.44) CNR2CNR1GRIN2BGRIN1
SCHEMBL5547035 0.88 GRIN2B (0.45) CNR2CNR1GRIN2BGRIN1THRB
SCHEMBL5545482 0.88 GRIN2B (0.42) CNR2CNR1GRIN2BBRD4
SCHEMBL5538730 0.87 CNR2 (0.42) CNR2CNR1GRIN2BGRIN1POLB
SCHEMBL5545873 0.87 L3MBTL1 (0.43) CNR2CNR1GRIN2BGRIN1THRB
SCHEMBL5539157 0.86 CNR2 (0.49) CNR2CNR1GRIN2BBRD4

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 CNR2 3954/4885CNR1 4053/4885GRIN2B 1400/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885CNR1 4670/4885GRIN2B 4036/4885

“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.