SCHEMBL754226

SCHEMBL754226

O=c1c(O)c(-c2ncn(Cc3ccc(F)cc3)n2)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
CYP3A4 P08684 5/20 0.45
MAPK1 P28482 4/20 0.45
HSD17B10 Q99714 4/20 0.45
ALOX15 P16050 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
USP2 O75604 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FTO Q9C0B1 1/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
KDM4E B2RXH2 5/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL13351851 0.87 LMNA (0.47) LMNATP53MAPTMEN1KMT2A
SCHEMBL753165 0.78 TNKS (0.53) LMNATP53KMT2ACYP3A4ALDH1A1
SCHEMBL30807193 0.72 CYP3A4 (0.77) NMUR2LMNATP53MAPTMEN1
SCHEMBL753035 0.70 NMUR2 (0.50) NMUR2LMNATP53MAPTMEN1
SCHEMBL2578582 0.70 HDAC1 (0.64) LMNAMAPTALDH1A1HPGDHDAC1
SCHEMBL753195 0.69 BRD4 (0.39) LMNAMEN1KMT2AABCB1RXFP1
SCHEMBL752464 0.65 ALDH1A1 (0.52) NMUR2LMNATP53MAPTMEN1
SCHEMBL2746872 0.65 MEN1 (0.90) NMUR2LMNATP53MAPTMEN1
SCHEMBL30807185 0.64 KDM4E (0.74) NMUR2LMNATP53MAPTMEN1
SCHEMBL345696 0.64 MEN1 (1.00) NMUR2LMNATP53MAPTMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT NMUR2 4782/4885LMNA 2825/4885TP53 1493/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NMUR2 4714/4885LMNA 2945/4885TP53 948/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NMUR2 4714/4885LMNA 2945/4885TP53 948/4885

“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.