SCHEMBL22029263

SCHEMBL22029263

CC(C)(C)OC(=O)N(CC#N)c1cc2ccccc2c(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.37
CTSK P43235 6/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
NR1H2 P55055 2/20 0.34
CTSB P07858 2/20 0.33
NR1H3 Q13133 1/20 0.33
F2 P00734 2/20 0.32
PAX8 Q06710 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
GBA1 P04062 1/20 0.32
ACACB O00763 1/20 0.32
GSTO1 P78417 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 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
SCHEMBL20296577 0.81 TRPM8 (0.38) TRPM8PAX8NPC1RAB9AMEN1
SCHEMBL29242188 0.81 ATM (0.39) CTSSCTSKTRPM8NR1H2CTSB
SCHEMBL20315161 0.80 PAX8 (0.43) TRPM8PAX8NPC1RAB9AMEN1
SCHEMBL30170784 0.80 PAX8 (0.43) TRPM8PAX8NPC1RAB9AMEN1
SCHEMBL29517495 0.80 PAX8 (0.43) TRPM8PAX8NPC1RAB9AMEN1
SCHEMBL30592234 0.69 CTSS (0.33) CTSSCTSKCTSB
SCHEMBL30592237 0.69 CTSS (0.33) CTSSCTSKCTSB
SCHEMBL26345840 0.69 CTSS (0.44) CTSSCTSKCTSBMAPT
SCHEMBL29493373 0.66 MEN1 (0.45) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL19617186 0.66 MEN1 (0.45) NPC1RAB9AMEN1GAAKMT2A

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-20250059163-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2025-02-20 US disclosed
EP-4483881-A2 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-01-01 EP disclosed
EP-3735299-B1 FUSED RING COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-10-02 EP disclosed
US-12084429-B2 Fused ring compounds GENENTECH, INC. (US) 2024-09-10 US disclosed
CN-118084867-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084870-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084866-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084868-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-112105419-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-29 CN disclosed
US-20230089126-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2023-03-23 US disclosed
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 US disclosed
CN-112105419-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-18 CN disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 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 (6 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-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CTSS 2196/4885CTSK 2313/4885TRPM8 4809/4885
US-20230089126-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CTSS 2196/4885CTSK 2313/4885TRPM8 4809/4885
US-12084429-B2 Fused ring compounds KRAS, NRAS, HRAS CTSS 2196/4885CTSK 2313/4885TRPM8 4809/4885
US-20250059163-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CTSS 2196/4885CTSK 2313/4885TRPM8 4809/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CTSS 2196/4885CTSK 2313/4885TRPM8 4809/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS CTSS 2196/4885CTSK 2313/4885TRPM8 4809/4885

“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.