SCHEMBL5547133

SCHEMBL5547133

CNC(=O)Cn1c(=O)c(C(=O)NCCOC)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
GRIN2B Q13224 7/20 0.40
GRIN1 Q05586 6/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
POLB P06746 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) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL5545763 0.93 L3MBTL1 (0.42) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL5547220 0.93 GRIN2B (0.44) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL5545301 0.93 KDM4E (0.47) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL5543265 0.93 GRIN2B (0.43) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL4584216 0.92 L3MBTL1 (0.44) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL5546938 0.92 CNR2 (0.40) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL5547226 0.92 L3MBTL1 (0.41) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL5545538 0.92 L3MBTL1 (0.41) L3MBTL1GRIN2BGRIN1MEN1KMT2A
SCHEMBL5545653 0.91 GRIN2B (0.40) L3MBTL1GRIN2BGRIN1MEN1KMT2A

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 12 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-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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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 L3MBTL1 1411/4885GRIN2B 1400/4885GRIN1 1445/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885GRIN2B 4036/4885GRIN1 3219/4885

“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.