SCHEMBL1225901

SCHEMBL1225901

Cc1ccc(C(=O)Nc2nc(O)ncc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.57
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KLF5 Q13887 2/20 0.45
MITF O75030 1/20 0.45
XBP1 P17861 1/20 0.45
PAX8 Q06710 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
NAMPT P43490 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL13383267 0.86 AURKA (0.57) AURKAKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13383578 0.85 AURKA (0.55) AURKAMEN1KMT2ARAB9ANPC1
SCHEMBL13383723 0.85 AURKA (0.59) AURKAKDM4EALDH1A1MEN1KMT2A
SCHEMBL13530674 0.81 KCNQ3 (0.51) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL13530697 0.78 HPGD (0.46) AURKARAB9ANPC1
SCHEMBL13383683 0.76 GRM5 (0.49) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL13383755 0.76 TSHR (0.57) AURKAALDH1A1MEN1KMT2ARAB9A
SCHEMBL13383682 0.75 RXFP1 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13383587 0.74 AURKA (0.37) AURKAALDH1A1PKM
SCHEMBL13530691 0.73 NPC1 (0.44) AURKAALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008855-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2017-01-12 US disclosed
US-20170008855-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2017-01-12 US disclosed
US-20170008855-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2017-01-12 US disclosed
US-20150111851-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2015-04-23 US disclosed
US-20150111851-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2015-04-23 US disclosed
US-20150111851-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2015-04-23 US disclosed
US-8916579-B2 5-fluoropyrimidinone derivatives DOW AGROSCIENCES, LLC. (US) 2014-12-23 US disclosed
US-8916579-B2 5-fluoropyrimidinone derivatives DOW AGROSCIENCES, LLC. (US) 2014-12-23 US disclosed
US-8916579-B2 5-fluoropyrimidinone derivatives DOW AGROSCIENCES, LLC. (US) 2014-12-23 US disclosed
US-20140296065-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC (IN) 2014-10-02 US disclosed
US-20140296065-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC (IN) 2014-10-02 US disclosed
EP-2462132-A1 5-FLUOROPYRIMIDINONE DERIVATIVES Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
US-20110053891-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110053891-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
WO-2011017540-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
WO-2011017540-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
WO-2010047866-A2 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC (US) 2010-04-29 WO disclosed
US-20100029482-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC 2010-02-04 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 (5 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-20100029482-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE PFAS, DCTD, MTAP AURKA 2193/4885KDM4E 879/4885ALDH1A1 1153/4885
US-20140296065-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE PFAS, DCTD, MTAP AURKA 2193/4885KDM4E 879/4885ALDH1A1 1153/4885
US-20170008855-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 AURKA 2056/4885KDM4E 699/4885ALDH1A1 528/4885
US-20150111851-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 AURKA 2056/4885KDM4E 699/4885ALDH1A1 528/4885
US-20110053891-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 AURKA 2056/4885KDM4E 699/4885ALDH1A1 528/4885

“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.