SCHEMBL3680676

SCHEMBL3680676

CC(C)(C)OC(=O)Nc1nc(Br)ns1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LCK P06239 11/20 0.44
PSMB8 P28062 1/20 0.40
PI4KB Q9UBF8 1/20 0.37
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6800712 0.82 CA1 (0.46) CA1CA2LCKPSMB8PI4KB
SCHEMBL1519841 0.81 CA1 (0.44) CA1CA2LCKPSMB8PI4KB
SCHEMBL31337188 0.79 CA1 (0.50) CA1CA2LCKPSMB8PI4KB
SCHEMBL4873003 0.78 KMT2A (0.53) CA1CA2LCKPSMB8NPC1
SCHEMBL11392793 0.78 CA1 (0.43) CA1CA2LCKPSMB8PI4KB
SCHEMBL31728041 0.77 CA1 (0.42) CA1CA2LCKPSMB8PI4KB
SCHEMBL31337527 0.77 CA1 (0.45) CA1CA2LCKPSMB8PI4KB
SCHEMBL9121665 0.77 CA1 (0.45) CA1CA2LCKPSMB8PI4KB
SCHEMBL10671146 0.76 CA1 (0.44) CA1CA2LCKPSMB8PI4KB
SCHEMBL1080488 0.76 ALDH1A1 (0.41) CA1CA2LCKPSMB8PI4KB

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
EP-4741390-A1 BIARYL RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2026-05-13 EP disclosed
WO-2025045248-A1 BIARYL RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州圣域生物医药科技有限公司 2025-03-06 WO disclosed
CN-119552156-A Biaryl ring compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2025-03-04 CN disclosed
US-20240245675-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. 2024-07-25 US disclosed
WO-2024118488-A1 2-PHENYLMORPHOLINE AND 2-PHENYL(THIO)MORPHOLINE COMPOUNDS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-06-06 WO disclosed
EP-4377298-A1 PROTEIN SECRETION INHIBITORS Gate Bioscience, Inc. (US) 2024-06-05 EP disclosed
CN-117999256-A Protein secretion inhibitor 分子门生物科技公司 2024-05-07 CN disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed
WO-2018114662-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
EP-2832731-A1 AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2015-02-04 EP disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 WO disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 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 (3 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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CA1 715/4885CA2 135/4885LCK 899/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 CA1 2656/4885CA2 662/4885LCK 120/4885
US-20240245675-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G CA1 4430/4885CA2 3723/4885LCK 4591/4885

“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.