SCHEMBL17504142

SCHEMBL17504142

CN(C(=O)CN1N=C(c2ccc(F)cc2F)CCC1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.39
GRIN2B Q13224 2/20 0.38
TP53 P04637 3/20 0.37
THRB P10828 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
GRIN1 Q05586 1/20 0.36
RORC P51449 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL17504113 0.91 TP53 (0.40) GRIN2BTP53MAPTLMNA
SCHEMBL17504133 0.90 POLQ (0.41) POLQTP53GPBAR1KDM4E
SCHEMBL17504152 0.86 GRIN2B (0.37) POLQGRIN2BTP53GPBAR1GRIN1
SCHEMBL17504183 0.85 TP53 (0.40) POLQGRIN2BTP53THRBMAPT
SCHEMBL17504198 0.84 TP53 (0.42) POLQGRIN2BTP53THRBGPBAR1
SCHEMBL17504179 0.84 LMNA (0.44) POLQTP53MAPTPOLBLMNA
SCHEMBL17504150 0.83 TP53 (0.40) POLQGRIN2BTP53THRBMAPT
SCHEMBL17504111 0.83 LMNA (0.43) POLQGRIN2BTP53MAPTPOLB
SCHEMBL17504200 0.82 TP53 (0.42) TP53MAPTLMNAKDM4E
SCHEMBL17504112 0.82 RAB9A (0.47) TP53THRBMAPTLMNA

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
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 claimed
US-9902701-B2 Pyridazones and triazinones for treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-02-27 US claimed
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
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 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 POLQ 3010/4885GRIN2B 2442/4885TP53 1340/4885

“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.