SCHEMBL29698901

SCHEMBL29698901

CC(C)NCCOC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.64
TSHR P16473 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
CSNK1D P48730 4/20 0.54
ACP1 P24666 1/20 0.52
LMNA P02545 1/20 0.51
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50

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
SCHEMBL18163677 1.00 DYRK1A (0.64) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL29699012 0.89 DYRK1A (0.67) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL19850884 0.89 DYRK1A (0.67) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL19844607 0.88 TSHR (0.73) DYRK1ATSHRHDAC6CSNK1DLMNA
SCHEMBL18163667 0.87 DYRK1A (0.65) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL28591455 0.87 DYRK1A (0.65) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL29699060 0.87 DYRK1A (0.65) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL15271211 0.87 DYRK1A (0.70) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL18154367 0.86 DYRK1A (0.63) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL15271212 0.86 DYRK1A (0.69) DYRK1ATSHRHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12472165-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (VG) 2025-11-18 US disclosed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
US-12005046-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-12005047-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2024-03-21 US disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
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-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
EP-4011870-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING RILUZOLE PRODRUGS Biohaven Pharmaceutical Holding Company Ltd. (US) 2022-06-15 EP 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-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885TSHR 2939/4885HDAC3 823/4885
US-12005046-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885TSHR 2939/4885HDAC3 823/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 DYRK1A 3437/4885TSHR 3349/4885HDAC3 970/4885
US-12005047-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885TSHR 2939/4885HDAC3 823/4885
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885TSHR 2939/4885HDAC3 823/4885
US-12472165-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885TSHR 2939/4885HDAC3 823/4885
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 DYRK1A 3437/4885TSHR 3349/4885HDAC3 970/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 DYRK1A 3818/4885TSHR 2939/4885HDAC3 823/4885
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 DYRK1A 3437/4885TSHR 3349/4885HDAC3 970/4885

“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.