SCHEMBL19852697

SCHEMBL19852697

CC(C)(C)Nc1cccc(CC(C)(C)Nc2ncccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.36
IDH2 P48735 1/20 0.36
APP P05067 4/20 0.36
NCF1 P14598 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PLK1 P53350 3/20 0.31
CYP1A2 P05177 1/20 0.31
GRM5 P41594 2/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL22328213 0.80 RAB9A (0.38) IDH1IDH2APPNCF1NPSR1
SCHEMBL26324947 0.79 GOT1 (0.38) CYP1A2
SCHEMBL26441388 0.74 NPSR1 (0.38) IDH1IDH2APPNCF1NPSR1
SCHEMBL12883344 0.73 CHRNB2 (0.41) NCF1CYP1A2
SCHEMBL18160808 0.72 NCF1 (0.36) IDH1IDH2APPNCF1NPSR1
SCHEMBL20436545 0.72 HSD11B1 (0.40) IDH1IDH2APPNCF1NPSR1
SCHEMBL22338260 0.71 RAB9A (0.41) IDH2NPSR1PLK1MEN1RAB9A
SCHEMBL9083546 0.70 SMN1; SMN2 (0.42) IDH1IDH2CYP1A2MEN1RAB9A
SCHEMBL13626475 0.69 HSD11B1 (0.42) IDH1IDH2APPNCF1NPSR1
SCHEMBL22328214 0.68 PLK1 (0.35) PLK1CYP1A2

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
US-12029731-B2 Acyl benzo[d]thiazol-2-amine and their methods of use BIOHAVEN THERAPEUTICS LTD. (US) 2024-07-09 US 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-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. (US) 2022-12-15 US disclosed
US-11358935-B2 Prodrugs of lanicemine and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-06-14 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-10905681-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-02 US disclosed
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. 2020-09-24 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-20190209532-A1 ACYL BENZO[D]THIAZOL-2-AMINE AND THEIR METHODS OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2019-07-11 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-10905681-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 IDH1 984/4885IDH2 1206/4885APP 2839/4885
US-20200289475-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 IDH1 984/4885IDH2 1206/4885APP 2839/4885
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE GRIN3A, GRIN1, GRM3 IDH1 634/4885IDH2 1356/4885APP 1031/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 IDH1 982/4885IDH2 1133/4885APP 2347/4885
US-12029731-B2 Acyl benzo[d]thiazol-2-amine and their methods of use BRCA1, ABAT, HDAC1 IDH1 571/4885IDH2 121/4885APP 1921/4885
US-20210236471-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 IDH1 984/4885IDH2 1206/4885APP 2839/4885
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 IDH1 722/4885IDH2 829/4885APP 2429/4885
US-20190209532-A1 ACYL BENZO[D]THIAZOL-2-AMINE AND THEIR METHODS OF USE BRCA1, ABAT, HDAC1 IDH1 571/4885IDH2 121/4885APP 1921/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 IDH1 634/4885IDH2 1356/4885APP 1031/4885
US-10639298-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 IDH1 982/4885IDH2 1133/4885APP 2347/4885
US-20210236470-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 IDH1 982/4885IDH2 1133/4885APP 2347/4885
US-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 IDH1 984/4885IDH2 1206/4885APP 2839/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 IDH1 984/4885IDH2 1206/4885APP 2839/4885
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 IDH1 982/4885IDH2 1133/4885APP 2347/4885

“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.