SCHEMBL5547005

SCHEMBL5547005

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2cccc(F)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
CNR2 P34972 4/20 0.36
MAPK14 Q16539 1/20 0.36
TOP2A P11388 1/20 0.34
MAT2A P31153 1/20 0.34
HIF1A Q16665 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
SMO Q99835 1/20 0.34
CNR1 P21554 1/20 0.34
ABCB1 P08183 1/20 0.34
BRD4 O60885 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5545896 0.91 MEN1 (0.40) MEN1KMT2AL3MBTL1CNR2MAPK14
SCHEMBL5538686 0.89 GPR52 (0.39) MEN1KMT2AL3MBTL1LMNAHIF1A
SCHEMBL5545952 0.89 MAPK14 (0.42) MEN1KMT2AL3MBTL1LMNACNR2
SCHEMBL5548055 0.89 HPGD (0.46) MEN1KMT2AL3MBTL1LMNATOP2A
SCHEMBL5545761 0.86 MEN1 (0.37) MEN1KMT2AL3MBTL1LMNACNR2
SCHEMBL5545713 0.85 EGLN1 (0.40) MEN1KMT2ALMNACNR2HIF1A
SCHEMBL5545543 0.85 MAPT (0.40) MEN1KMT2AL3MBTL1LMNA
SCHEMBL5545513 0.83 MEN1 (0.51) MEN1KMT2AL3MBTL1LMNACNR2
SCHEMBL5547276 0.83 CNR2 (0.41) MEN1KMT2ACNR2EGLN1CNR1
SCHEMBL5547369 0.81 MEN1 (0.41) MEN1KMT2AL3MBTL1CNR2HIF1A

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 MEN1 4802/4885KMT2A 502/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885L3MBTL1 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.