SCHEMBL5545823

SCHEMBL5545823

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2nccn2C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.39
CNR1 P21554 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LIPG Q9Y5X9 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
NAMPT P43490 1/20 0.35
RIPK3 Q9Y572 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5545708 0.91 L3MBTL1 (0.39) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5546944 0.90 KDM4E (0.41) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5545924 0.90 L3MBTL1 (0.38) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5538544 0.89 KDM4E (0.39) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5545372 0.86 CNR2 (0.45) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5545334 0.85 L3MBTL1 (0.42) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5547227 0.83 GRIN1 (0.46) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5545514 0.83 GRIN1 (0.44) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5540820 0.83 L3MBTL1 (0.41) CNR2CNR1L3MBTL1MEN1KMT2A
SCHEMBL5539051 0.83 CNR2 (0.42) CNR2L3MBTL1MEN1KMT2ASMN1; SMN2

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 4 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 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 4053/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885CNR1 4670/4885L3MBTL1 1408/4885

“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.