SCHEMBL21493543

SCHEMBL21493543

O=c1[nH]ncn1Cc1cc2cc(Br)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 6/20 0.47
▸ TBXAS1 P24557 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CTRC Q99895 2/20 0.34
▸ CTSC P53634 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ EIF4E P06730 1/20 0.31

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
SCHEMBL30947293 1.00 AKR1B1 (0.47) AKR1B1TBXAS1HSP90AA1LMNACTRC
SCHEMBL30947332 0.90 AKR1B1 (0.40) AKR1B1CTRCNOS1METAP2
SCHEMBL22206466 0.90 AKR1B1 (0.40) AKR1B1CTRCNOS1METAP2
SCHEMBL21493503 0.75 KDM4E (0.44) L3MBTL1MEN1KMT2A
SCHEMBL30693465 0.74 AKR1B1 (0.49) AKR1B1TBXAS1HSP90AA1LMNACTRC
SCHEMBL21493437 0.74 TSHR (0.32) —
SCHEMBL22206420 0.71 PKM (0.44) LMNAMEN1KMT2A
SCHEMBL22206486 0.70 CYP11B1 (0.47) MEN1KMT2A
SCHEMBL31095721 0.67 HSP90AA1 (0.49) AKR1B1HSP90AA1LMNACTSCL3MBTL1
SCHEMBL3741364 0.67 HSP90AA1 (0.49) AKR1B1HSP90AA1LMNACTSCL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 — — EP disclosed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 — — US disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 — — CN disclosed
CN-111886233-B Triazolone derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-01-02 — — CN disclosed
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-10-10 — — US disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 — — US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 — — US disclosed
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-11-09 — — US disclosed
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-10-14 — — US disclosed
CN-113330001-A 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same 柳韩洋行 2021-08-31 — — CN disclosed
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-05-04 — — US disclosed
CN-111886233-A Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2020-11-03 — — CN disclosed
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 — — US disclosed
US-20190322655-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-24 — — US 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 (9 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-20190322655-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAPB, VAT1 AKR1B1 456/4885TBXAS1 437/4885HSP90AA1 1977/4885
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 AKR1B1 1292/4885TBXAS1 3455/4885HSP90AA1 2467/4885
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAT1, LIPC AKR1B1 499/4885TBXAS1 397/4885HSP90AA1 1669/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 AKR1B1 1292/4885TBXAS1 3455/4885HSP90AA1 2467/4885
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, LIPC AKR1B1 499/4885TBXAS1 397/4885HSP90AA1 1669/4885
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 AKR1B1 1292/4885TBXAS1 3455/4885HSP90AA1 2467/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 AKR1B1 1292/4885TBXAS1 3455/4885HSP90AA1 2467/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 AKR1B1 1292/4885TBXAS1 3455/4885HSP90AA1 2467/4885
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, VAPB AKR1B1 500/4885TBXAS1 419/4885HSP90AA1 1585/4885

“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.

Send feedback