SCHEMBL1767929

SCHEMBL1767929

CC(C)(C)OC(=O)C(CBr)CBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
APLNR P35414 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ELANE P08246 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 2/20 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
SCHEMBL8329644 0.87 NOS1 (0.33) KMT2AMEN1GAALMNACA1
SCHEMBL1922911 0.84 CA2 (0.47) KMT2AMEN1GAACA1CA2
SCHEMBL26100054 0.82 KMT2A (0.38) KMT2AMEN1GAALMNADGAT1
SCHEMBL218283 0.79 CA1 (0.36) KMT2AMEN1GAALMNADGAT1
SCHEMBL6337940 0.79 ALDH1A1 (0.42) KMT2AMEN1GAALMNADGAT1
SCHEMBL1803154 0.78 CA2 (0.43) KMT2AMEN1GAALMNADGAT1
SCHEMBL375812 0.77 NOS1 (0.37) KMT2AMEN1GAALMNADGAT1
SCHEMBL4610670 0.77 CYP1A2 (0.49) TDP1CTSK
Water SCHEMBL27597678 0.76 CA2 (0.42) KMT2AMEN1GAALMNADGAT1
SCHEMBL6932447 0.76 KMT2A (0.36) KMT2AMEN1GAALMNADGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041180-A Simple method for preparing 3-bromo-2-bromomethylpropionate tert-butyl ester 海门瑞一医药科技有限公司 2023-05-02 CN claimed
EP-4696329-A1 ANTI-ROR1 ANTIBODY AND DRUG CONJUGATE THEREOF BioRay Pharmaceutical Co., Ltd. (CN) 2026-02-18 EP disclosed
US-20240425465-A1 PYRIDAZINEDIONE-BASED HETEROBICYCLIC COVALENT LINKERS AND METHODS AND APPLICATIONS THEREOF SYNTABIO LLC 2024-12-26 US disclosed
WO-2024213040-A1 ANTI-ROR1 ANTIBODY AND DRUG CONJUGATE THEREOF 浙江博锐生物制药有限公司 2024-10-17 WO disclosed
EP-4422633-A1 PYRIDAZINEDIONE-BASED HETEROBICYCLIC COVALENT LINKERS AND METHODS AND APPLICATIONS THEREOF Syntabio LLC (US) 2024-09-04 EP disclosed
WO-2023076848-A1 PYRIDAZINEDIONE-BASED HETEROBICYCLIC COVALENT LINKERS AND METHODS AND APPLICATIONS THEREOF SYNTABIO LLC (US) 2023-05-04 WO disclosed
WO-2023076848-A1 PYRIDAZINEDIONE-BASED HETEROBICYCLIC COVALENT LINKERS AND METHODS AND APPLICATIONS THEREOF SYNTABIO LLC (US) 2023-05-04 WO disclosed
CN-116041180-A Simple method for preparing 3-bromo-2-bromomethylpropionate tert-butyl ester 海门瑞一医药科技有限公司 2023-05-02 CN disclosed
CN-116041180-A Simple method for preparing 3-bromo-2-bromomethylpropionate tert-butyl ester 海门瑞一医药科技有限公司 2023-05-02 CN disclosed
CN-116041180-A Simple method for preparing 3-bromo-2-bromomethylpropionate tert-butyl ester 海门瑞一医药科技有限公司 2023-05-02 CN disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2504314-A1 QUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-03 EP disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 WO disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 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 (2 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-20240425465-A1 PYRIDAZINEDIONE-BASED HETEROBICYCLIC COVALENT LINKERS AND METHODS AND APPLICATIONS THEREOF P4HB, PLPBP, PTMS KMT2A 3593/4885MEN1 4628/4885GAA 4418/4885
US-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 KMT2A 4002/4885MEN1 4488/4885GAA 1167/4885

“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.