SCHEMBL17504167

SCHEMBL17504167

CN(C(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ TSHR P16473 1/20 0.65
▸ ALDH1A1 P00352 4/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ MAPT P10636 1/20 0.55
▸ HSD17B10 Q99714 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ GLA P06280 1/20 0.50

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
SCHEMBL17504125 0.91 MEN1 (0.59) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL17504176 0.83 MEN1 (0.48) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL23495116 0.80 MEN1 (0.68) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL23495314 0.80 MAPT (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL25969306 0.79 TSHR (0.66) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL17504123 0.78 MAPT (0.47) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL18918387 0.78 MEN1 (0.45) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL17504185 0.76 MAPT (0.45) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL17504156 0.76 GRIN2B (0.46) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL23495266 0.75 MAPT (0.64) MEN1KMT2ATSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP3A43, CYP4B1 MEN1 3241/4885KMT2A 2716/4885TSHR 395/4885

“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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