SCHEMBL17504123

SCHEMBL17504123

CN(C(=O)Cn1nc(-c2ccc(Cl)c(F)c2)ccc1=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ GRIN2B Q13224 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ TSPO P30536 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ POLQ O75417 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17504185 0.97 MAPT (0.45) MAPTGRIN2BMEN1KMT2ATSHR
SCHEMBL18918387 0.92 MEN1 (0.45) MAPTGRIN2BMEN1KMT2ATSHR
SCHEMBL17504125 0.87 MEN1 (0.59) MAPTMEN1KMT2ATSHRHDAC1
SCHEMBL17504136 0.83 KDM4E (0.41) MAPTMEN1KMT2AHDAC1KDM4E
SCHEMBL17504156 0.83 GRIN2B (0.46) MAPTGRIN2BMEN1KMT2ATSHR
SCHEMBL17504153 0.81 KDM4E (0.46) MEN1KMT2ATSPOKDM4EPOLQ
SCHEMBL17504167 0.78 MEN1 (0.68) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL17504144 0.76 TSPO (0.40) MAPTGRIN2BMEN1KMT2ATSPO
SCHEMBL17504132 0.68 PGR (0.41) MAPTMEN1KMT2ATSPOPOLQ
SCHEMBL8300688 0.68 MAPT (0.45) MAPTMEN1KMT2ATSHRKDM4E

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 MAPT 3041/4885GRIN2B 2442/4885MEN1 3241/4885

“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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