SCHEMBL1224554

SCHEMBL1224554

COc1ccccc1CNC(=O)Nc1nc(=O)[nH]cc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ROCK1 Q13464 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 5/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ANO1 Q5XXA6 1/20 0.46

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
SCHEMBL13530879 0.82 ROCK2 (0.53) ROCK2ADORA3KMT2AMEN1HPGD
SCHEMBL1225198 0.79 ADORA3 (0.50) ROCK2ADORA3KMT2AMEN1HPGD
SCHEMBL12884145 0.78 MAPK1 (0.51) ROCK2ADORA3KMT2AMEN1HPGD
SCHEMBL12884137 0.77 ADORA3 (0.48) ROCK2ADORA3KMT2AMEN1HPGD
SCHEMBL12884139 0.77 ADORA3 (0.48) ROCK2ADORA3KMT2AMEN1HPGD
SCHEMBL13529782 0.76 KMT2A (0.53) ROCK2ADORA3KMT2AMEN1HPGD
SCHEMBL12884141 0.75 ADORA3 (0.46) ROCK2ADORA3KMT2AMEN1HPGD
SCHEMBL27406221 0.71 MAPT (0.64) KMT2AMEN1HPGDALDH1A1TDP1
SCHEMBL20540167 0.71 KMT2A (0.61) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL23083281 0.71 NPC1 (0.72) KMT2AMEN1HPGDALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2461686-B1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2015-10-07 — — EP disclosed
US-9000002-B2 N1-substituted-5-fluoro-2-oxopyrimidinone-1(2H)-carboxamide derivatives DOW AGROSCIENCES LLC (US) 2015-04-07 — — US disclosed
US-9000002-B2 N1-substituted-5-fluoro-2-oxopyrimidinone-1(2H)-carboxamide derivatives DOW AGROSCIENCES LLC (US) 2015-04-07 — — US disclosed
US-9000002-B2 N1-substituted-5-fluoro-2-oxopyrimidinone-1(2H)-carboxamide derivatives DOW AGROSCIENCES LLC (US) 2015-04-07 — — US disclosed
US-20140011824-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-09 — — US disclosed
US-20140011824-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-09 — — US disclosed
US-20140011824-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-09 — — US disclosed
US-8552020-B2 N1-substituted-5-fluoro-2-oxopyrimidinone-1(2H)-carboxamide derivatives DOW AGROSCIENCES, LLC. (US) 2013-10-08 — — US disclosed
US-8552020-B2 N1-substituted-5-fluoro-2-oxopyrimidinone-1(2H)-carboxamide derivatives DOW AGROSCIENCES, LLC. (US) 2013-10-08 — — US disclosed
US-8552020-B2 N1-substituted-5-fluoro-2-oxopyrimidinone-1(2H)-carboxamide derivatives DOW AGROSCIENCES, LLC. (US) 2013-10-08 — — US disclosed
EP-2461686-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES Dow AgroSciences LLC (US) 2012-06-13 — — EP disclosed
WO-2011017545-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 — — WO disclosed
WO-2011017545-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 — — WO disclosed
US-20110034492-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 — — US disclosed
US-20110034492-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 — — US disclosed
US-20110034492-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 — — 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 (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-20110034492-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DDT, CASP2, GDI1 ROCK2 2332/4885ADORA3 1844/4885KMT2A 1216/4885
US-20140011824-A1 N1-SUBSTITUTED-5-FLUORO-2-OXOPYRIMIDINONE-1(2H)-CARBOXAMIDE DERIVATIVES DDT, CASP2, GDI1 ROCK2 2332/4885ADORA3 1844/4885KMT2A 1216/4885

“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.

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