Sugi Predict

Sugi Predict / Compounds / SCHEMBL16100540

SCHEMBL16100540

SCHEMBL16100540

CC(C)(C)OC(=O)N1CC=C(c2ccc(N)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.52
▸ PDK4 Q16654 1/20 0.51
▸ HTR6 P50406 1/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ GRM1 Q13255 9/20 0.44
▸ GRM5 P41594 8/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41

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
SCHEMBL30567483 1.00 NR1H2 (0.52) NR1H2PDK4HTR6JAK1GRM1
SCHEMBL30567480 1.00 NR1H2 (0.52) NR1H2PDK4HTR6JAK1GRM1
SCHEMBL15556671 0.88 PDK4 (0.51) PDK4HTR6JAK1GRM1GRM5
SCHEMBL31155298 0.85 PDK4 (0.63) PDK4HTR6JAK1GRM1GRM5
SCHEMBL83151 0.85 PDK4 (0.63) PDK4HTR6JAK1GRM1GRM5
SCHEMBL21275231 0.84 NR1H2 (0.50) NR1H2PDK4BTKALDH1A1LMNA
SCHEMBL29744827 0.84 PDK4 (0.55) NR1H2PDK4HTR6JAK1GRM1
SCHEMBL1811363 0.84 PDK4 (0.55) NR1H2PDK4HTR6JAK1GRM1
SCHEMBL28365725 0.83 ALOX15 (0.41) ALDH1A1LMNAMAPT
SCHEMBL16385571 0.83 PDK4 (0.51) NR1H2PDK4HTR6JAK1GRM1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637467-B2 Inhibitor of BTK and mutants thereof NEWAVE PHARMACEUTICAL INC. (US) 2026-05-26 — — US disclosed
US-20250045728-A1 INHIBITORS OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2025-02-06 — — US disclosed
US-12086788-B2 Substituted pyrazines as inhibitors of BTK, and mutants thereof NEWAVE PHARMACEUTICAL INC. (US) 2024-09-10 — — US disclosed
CN-117209502-A Inhibitors of BTK and mutants thereof 广州麓鹏制药有限公司 2023-12-12 — — CN disclosed
CN-111741959-B Inhibitors of BTK and mutants thereof 广州麓鹏制药有限公司 2023-09-05 — — CN disclosed
US-20230140433-A1 INHIBITORS OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2023-05-04 — — US disclosed
US-20220363689-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2022-11-17 — — US disclosed
US-11501284-B2 Substituted pyrazines as inhibitors of BTK, and mutants thereof NEWAVE PHARMACEUTICAL INC. (US) 2022-11-15 — — US disclosed
US-20220135569-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2022-05-05 — — US disclosed
CN-113939292-A Inhibitors of BTK and mutants thereof 广州麓鹏制药有限公司 2022-01-14 — — CN disclosed
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 — — CN disclosed
WO-2019161152-A1 INHIBITORS OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2019-08-22 — — WO disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 — — US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 — — EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — 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 (10 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-11501284-B2 Substituted pyrazines as inhibitors of BTK, and mutants thereof BTK, SYK, LYN NR1H2 2915/4885PDK4 1242/4885HTR6 4152/4885
US-20220363689-A1 INHIBITOR OF BTK AND MUTANTS THEREOF BTK, SYK, LYN NR1H2 3427/4885PDK4 1917/4885HTR6 4173/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 NR1H2 1651/4885PDK4 576/4885HTR6 3475/4885
US-20220135569-A1 INHIBITOR OF BTK AND MUTANTS THEREOF BTK, SYK, LYN NR1H2 3345/4885PDK4 1877/4885HTR6 4107/4885
US-20250045728-A1 INHIBITORS OF BTK AND MUTANTS THEREOF BTK, SYK, LYN NR1H2 2941/4885PDK4 2885/4885HTR6 4398/4885
US-20230140433-A1 INHIBITORS OF BTK AND MUTANTS THEREOF BTK, SYK, LYN NR1H2 2941/4885PDK4 2885/4885HTR6 4398/4885
US-12637467-B2 Inhibitor of BTK and mutants thereof BTK, CNKSR1, SYK NR1H2 591/4885PDK4 4504/4885HTR6 4014/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 NR1H2 1651/4885PDK4 576/4885HTR6 3475/4885
US-12086788-B2 Substituted pyrazines as inhibitors of BTK, and mutants thereof BTK, SYK, LYN NR1H2 2915/4885PDK4 1242/4885HTR6 4152/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 NR1H2 1651/4885PDK4 576/4885HTR6 3475/4885

“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.