SCHEMBL17504140

SCHEMBL17504140

CNc1ccc(-c2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
KCNH2 Q12809 2/20 0.46
KIF11 P52732 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GRIA4 P48058 8/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.41
MAT2A P31153 1/20 0.40

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
SCHEMBL5141361 0.84 TSHR (0.57) ALDH1A1TSHRKIF11NPC1MEN1
SCHEMBL28826323 0.84 KCNH2 (0.47) TSHRKCNH2KIF11GFERMAT2A
SCHEMBL23443561 0.83 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1TSHRNPSR1
SCHEMBL12856701 0.82 PTPRC (0.56) ALDH1A1MAPTL3MBTL1NPSR1GRIA4
SCHEMBL25973862 0.80 TSHR (0.59) ALDH1A1TSHRKIF11MEN1KMT2A
SCHEMBL27613209 0.77 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1TSHRNPSR1
SCHEMBL6674385 0.77 CA12 (0.48) TSHRKIF11MEN1CYP3A4KMT2A
SCHEMBL26739580 0.76 LMNA (0.47) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL29788170 0.76 GRIA4 (0.55) ALDH1A1MAPTKIF11NPSR1GRIA4
SCHEMBL18610657 0.76 PTPRC (0.38) ALDH1A1MAPTL3MBTL1TSHRPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
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
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
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 (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-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP3A43, CYP4B1 ALDH1A1 345/4885MAPT 3041/4885L3MBTL1 2417/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 ALDH1A1 3447/4885MAPT 484/4885L3MBTL1 1552/4885

“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.