SCHEMBL4624829

SCHEMBL4624829

O=c1ncc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.52
METAP2 P50579 1/20 0.52
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
ALPL P05186 2/20 0.47
CA12 O43570 1/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL837449 0.81 CA12 (0.47) NOTUMMEN1KMT2AALPLCA12
SCHEMBL835685 0.81 CYP1A2 (0.55) NOTUMMETAP2KDM4EALDH1A1GAA
SCHEMBL7229988 0.79 RARB (0.48) KDM4EALDH1A1ALPLCA12NPC1
SCHEMBL10900686 0.76 ALPL (0.54) KMT2AALPL
SCHEMBL836395 0.74 MAPK1 (0.51) KDM4EALDH1A1GAAALPLCA12
SCHEMBL481916 0.73 LMNA (0.67) NOTUMMETAP2MEN1KMT2AALPL
SCHEMBL8683290 0.72 HSD11B1 (0.52) NOTUMMETAP2KDM4EALDH1A1GAA
SCHEMBL11512790 0.71 IDO1 (0.56) NOTUMKDM4EALDH1A1MEN1KMT2A
SCHEMBL7222257 0.71 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AALPL
SCHEMBL4221659 0.70 NR1H2 (0.49) NOTUMMETAP2KDM4EALDH1A1GAA

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-3180319-B1 NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-10-03 EP disclosed
US-9902701-B2 Pyridazones and triazinones for treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-02-27 US disclosed
US-9902701-B2 Pyridazones and triazinones for treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-02-27 US disclosed
US-9902701-B2 Pyridazones and triazinones for treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-02-27 US disclosed
EP-3180319-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-06-21 EP disclosed
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-06-08 US disclosed
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-06-08 US disclosed
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-06-08 US disclosed
WO-2016023877-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-02-18 WO disclosed
WO-2016023877-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-02-18 WO disclosed
EP-1328275-B1 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-07 EP disclosed
US-6995157-B2 Substituted 4,5-dihydro-1,2,4-triazin-3-ones, 1,2,4-triazin-3-ones, and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2006-02-07 US disclosed
EP-1328275-A4 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2004-03-10 EP disclosed
US-20040019209-A1 Substituted 4,5-dihydro-1,2,4-triazin-3-ones,1,2,4-triazin-3-ones, and their use as fungicides and insecticides DOW AGROSCIENCES LLC 2004-01-29 US disclosed
EP-1328275-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES Dow AgroSciences LLC (US) 2003-07-23 EP disclosed
WO-2002056682-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2002-07-25 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 (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-20040019209-A1 Substituted 4,5-dihydro-1,2,4-triazin-3-ones,1,2,4-triazin-3-ones, and their use as fungicides and insecticides DDT, CYP4B1, CYP4X1 NOTUM 1201/4885METAP2 2470/4885KDM4E 542/4885
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP3A43, CYP4B1 NOTUM 4513/4885METAP2 2266/4885KDM4E 1852/4885

“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.