SCHEMBL753027

SCHEMBL753027

Cn1ncnc1-c1oc2c(Br)ccc(OCc3ccc(F)cc3)c2c(=O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
MAPK14 Q16539 6/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
POLB P06746 3/20 0.35
PTGER1 P34995 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RECQL P46063 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL756376 0.86 FFAR4 (0.39) BRD4CYP1A1CYP1A2CYP1B1RXFP1
SCHEMBL752167 0.86 BRD4 (0.34) BRD4MAPK14CYP1A1CYP1A2CYP1B1
SCHEMBL752573 0.86 BRD4 (0.34) BRD4MAPK14POLBPTGER1RXFP1
SCHEMBL754396 0.85 BRD4 (0.41) BRD4MAPK14POLBRECQLMEN1
SCHEMBL754322 0.81 BRD4 (0.39) BRD4MAPK14POLBPTGER1RXFP1
SCHEMBL3434393 0.81 MAOB (0.38) CYP1A1CYP1A2CYP1B1LMNAHTT
SCHEMBL16921596 0.78 BRD4 (0.43) BRD4MEN1KMT2ALMNAHTT
SCHEMBL2490161 0.78 BRD4 (0.43) BRD4PTGER1LMNAHTTKDM5A
SCHEMBL756684 0.77 BRD4 (0.42) BRD4MAPK14LMNAHTTKDM5A
SCHEMBL756552 0.77 ABCG2 (0.35) BRD4MEN1KMT2AMAPTLMNA

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 10 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-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
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-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 BRD4 586/4885MAPK14 3701/4885CYP1A1 1188/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAPK14 3586/4885CYP1A1 884/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAPK14 3586/4885CYP1A1 884/4885

“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.