SCHEMBL19850784

SCHEMBL19850784

CC(C)(C)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.67
▸ NPC1 O15118 6/20 0.59
▸ RAB9A P51151 6/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ SCN4A P35499 2/20 0.59
▸ SCN9A Q15858 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ GMNN O75496 1/20 0.59
▸ USP2 O75604 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ BLM P54132 1/20 0.59

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
SCHEMBL22436025 0.87 DYRK1A (0.61) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL9776980 0.86 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL22435996 0.85 DYRK1A (0.59) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL2116986 0.84 NPC1 (0.68) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL2733120 0.84 NPC1 (0.65) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL28878452 0.83 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL29975006 0.83 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL23697876 0.83 DYRK1A (0.57) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL8430889 0.83 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL9776965 0.82 DYRK1A (0.65) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A

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
US-11911369-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (VG) 2024-02-27 — — US disclosed
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 — — US disclosed
US-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 — — US disclosed
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 — — US disclosed
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-01-19 — — US disclosed
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. (US) 2022-12-15 — — US disclosed
US-20210236470-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. 2021-08-05 — — US disclosed
US-20210236471-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2021-08-05 — — US disclosed
US-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2021-07-29 — — US disclosed
US-11052070-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2021-07-06 — — US disclosed
US-10905681-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-02 — — US disclosed
US-20200289475-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2020-09-17 — — US disclosed
US-10639298-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (US) 2020-05-05 — — US disclosed
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 — — US disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 — — 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 (14 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-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-10905681-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-20200289475-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 DYRK1A 3437/4885NPC1 3132/4885RAB9A 1164/4885
US-20210236471-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-11052070-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 DYRK1A 3736/4885NPC1 3362/4885RAB9A 983/4885
US-10639298-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 DYRK1A 3437/4885NPC1 3132/4885RAB9A 1164/4885
US-20210236470-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 DYRK1A 3437/4885NPC1 3132/4885RAB9A 1164/4885
US-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885NPC1 3564/4885RAB9A 985/4885
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 DYRK1A 3437/4885NPC1 3132/4885RAB9A 1164/4885

“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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