SCHEMBL753011

SCHEMBL753011

CN1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
LIPG Q9Y5X9 1/20 0.43
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.37
ELOVL1 Q9BW60 5/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 2/20 0.36
GRM3 Q14832 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MCHR1 Q99705 2/20 0.34
MAPK14 Q16539 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
SCHEMBL755973 0.89 PKM (0.41) JAK2JAK3LIPGLMNATSHR
SCHEMBL756220 0.89 JAK2 (0.43) JAK2JAK3LIPGPOLBRECQL
SCHEMBL751416 0.88 JAK2 (0.44) JAK2JAK3LIPGPOLBRECQL
SCHEMBL755319 0.87 JAK2 (0.43) JAK2JAK3LIPGPOLBRECQL
SCHEMBL754587 0.87 JAK2 (0.41) JAK2JAK3LIPGPOLBRECQL
SCHEMBL754532 0.86 JAK2 (0.43) JAK2JAK3LIPGPOLBRECQL
SCHEMBL753218 0.83 JAK2 (0.44) JAK2JAK3LMNAELOVL1KDM4E
SCHEMBL751248 0.83 LMNA (0.44) JAK2JAK3LMNATDP1L3MBTL1
SCHEMBL754930 0.83 GPR84 (0.38) LIPGMAOB
SCHEMBL753054 0.81 LIPG (0.39) LIPGELOVL1

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 12 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
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-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 JAK2 2687/4885JAK3 2119/4885LIPG 3541/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI JAK2 1875/4885JAK3 1523/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI JAK2 1875/4885JAK3 1523/4885LIPG 4229/4885

“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.