SCHEMBL754322

SCHEMBL754322

Cn1ncnc1-c1cc(=O)c2c(OCc3ccc(F)cc3)ccc(Br)c2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
MAPK14 Q16539 5/20 0.39
POLB P06746 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
PTGER1 P34995 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
ACHE P22303 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
BCHE P06276 1/20 0.34
PTPN1 P18031 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 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
SCHEMBL757274 0.84 BCHE (0.50) BRD4POLBALDH1A1MAPTHPGD
SCHEMBL753027 0.81 BRD4 (0.36) BRD4MAPK14POLBRXFP1ALDH1A1
SCHEMBL16921594 0.81 BRD4 (0.58) BRD4MAPK14POLBALDH1A1HPGD
SCHEMBL16908927 0.80 BRD4 (0.47) BRD4ACHEBCHE
SCHEMBL752573 0.79 BRD4 (0.34) BRD4MAPK14POLBRXFP1ALDH1A1
SCHEMBL16921595 0.77 BRD4 (0.44) BRD4MAPTACHEBCHEKDM4E
SCHEMBL752863 0.77 BRD4 (0.44) BRD4MAPTLMNAHTTACHE
SCHEMBL753327 0.76 AR (0.47) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL753248 0.76 KDM5A (0.43) BRD4MAPTLMNASMN1; SMN2ACHE
SCHEMBL753097 0.75 BRD4 (0.42) BRD4MAPK14MAPTACHEBCHE

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
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
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

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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAPK14 3586/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAPK14 3586/4885POLB 107/4885

“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.