SCHEMBL17504148

SCHEMBL17504148

Cc1ccc(C2=NN(CC(=O)O)C(=O)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.67
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
THRB P10828 1/20 0.56
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL31703214 0.87 LMNA (0.67) TP53MEN1KMT2ALMNAPOLB
SCHEMBL17504145 0.86 LMNA (0.53) TP53MEN1KMT2ALMNAPOLB
SCHEMBL17504138 0.86 TP53 (0.65) TP53MEN1KMT2ATHRBLMNA
SCHEMBL17504206 0.86 TP53 (0.54) TP53MEN1KMT2ALMNAPOLB
SCHEMBL17518413 0.84 LMNA (0.65) TP53MEN1KMT2ALMNAPOLB
SCHEMBL17504177 0.82 LMNA (0.50) TP53MEN1KMT2ALMNAMAPT
SCHEMBL17504157 0.82 TP53 (0.49) TP53MEN1KMT2ALMNAMAPT
SCHEMBL17504119 0.80 LMNA (0.47) TP53MEN1KMT2ALMNAMAPT
SCHEMBL17504186 0.80 PGR (0.57) TP53LMNAMAPT
SCHEMBL17504178 0.77 TP53 (0.61) TP53MEN1KMT2ALMNAPOLB

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 10 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

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 TP53 1340/4885MEN1 3241/4885KMT2A 2716/4885

“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.