SCHEMBL5546784

SCHEMBL5546784

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C2CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.42
CNR2 P34972 7/20 0.39
CNR1 P21554 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BRD4 O60885 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HIF1A Q16665 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5545427 0.89 TLR2 (0.42) TLR2CNR2CNR1MEN1KMT2A
SCHEMBL5541118 0.89 TLR2 (0.42) TLR2CNR2CNR1MEN1KMT2A
SCHEMBL5547355 0.89 TLR2 (0.41) TLR2CNR2CNR1MEN1KMT2A
SCHEMBL5539097 0.89 CNR2 (0.40) TLR2CNR2CNR1MEN1KMT2A
SCHEMBL5545638 0.89 CNR2 (0.40) TLR2CNR2CNR1MEN1KMT2A
SCHEMBL5545789 0.89 TLR2 (0.42) TLR2CNR2CNR1MEN1KMT2A
SCHEMBL15163674 0.87 TLR2 (0.40) TLR2CNR2CNR1MEN1KMT2A
SCHEMBL5541104 0.86 PDE3B (0.40) TLR2MEN1KMT2AALDH1A1
SCHEMBL5541103 0.86 TLR2 (0.40) TLR2CNR2CNR1MEN1KMT2A
SCHEMBL5545664 0.86 TLR2 (0.40) TLR2CNR2CNR1MEN1KMT2A

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 6 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
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 TLR2 3732/4885CNR2 3954/4885CNR1 4053/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TLR2 4373/4885CNR2 4810/4885CNR1 4670/4885

“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.