SCHEMBL1226317

SCHEMBL1226317

Nc1nc(=O)n(CCCCn2cncn2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
EP300 Q09472 6/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL8993091 0.77 EP300 (0.47) EP300TLR8
SCHEMBL1225348 0.77 EP300 (0.42) EP300TLR8
SCHEMBL12894756 0.72 ALB (0.43) EP300KMT2A
SCHEMBL17159811 0.69 EGLN3 (0.56) MAPK1MEN1KMT2ACYP19A1EGLN3
SCHEMBL28189199 0.69 ALB (0.45) EP300
SCHEMBL12724345 0.69 EP300 (0.43) EP300TLR8
SCHEMBL10836710 0.68 MAPK1 (0.49) MAPK1MEN1KMT2AEGLN3
SCHEMBL29518112 0.67 EGLN3 (0.54) MAPK1MEN1KMT2ACYP19A1EGLN3
SCHEMBL2535061 0.67 EGLN3 (0.54) MAPK1MEN1KMT2ACYP19A1EGLN3
SCHEMBL12741859 0.67 EP300 (0.45) EP300

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 15 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
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
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

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-20170008855-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 MAPK1 4096/4885EP300 4722/4885MEN1 2898/4885
US-20150111851-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 MAPK1 4096/4885EP300 4722/4885MEN1 2898/4885
US-20110053891-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 MAPK1 4096/4885EP300 4722/4885MEN1 2898/4885

“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.