SCHEMBL2084748

SCHEMBL2084748

C=Cc1cccnc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ERN1 O75460 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IDO1 P14902 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 1/20 0.34
MAPT P10636 1/20 0.33
NFE2L2 Q16236 3/20 0.33

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
SCHEMBL29554163 0.85 ALDH1A1 (0.39) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL93457 0.85 ALDH1A1 (0.39) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL346904 0.85 TRIM24 (0.59) TRIM24TRIM33KMT2AMEN1LMNA
Imidazole SCHEMBL11142652 0.84 ALDH1A1 (0.38) TRIM24TRIM33KMT2AALDH1A1
SCHEMBL4322480 0.83 TRIM24 (0.53) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL30556656 0.83 TRIM24 (0.53) TRIM24TRIM33KMT2AMEN1LMNA
Ammonia Solution, Strong SCHEMBL28157558 0.83 ALDH1A1 (0.38) TRIM24TRIM33KMT2AMEN1LMNA
Benzene SCHEMBL28129976 0.83 ALDH1A1 (0.38) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL11090010 0.81 ALDH1A1 (0.41) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL24466129 0.79 ALDH1A1 (0.35) TRIM24TRIM33KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2026-03-24 US disclosed
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2024-09-26 US disclosed
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2022-11-15 US disclosed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 US disclosed
CN-110545814-A Chemokine CXCR4 receptor modulators and uses related thereto UNIV EMORY 2019-12-06 CN disclosed
WO-2018156595-A1 CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2018-08-30 WO disclosed
CN-103570683-B Polysubstituted aminated compounds and its preparation method and application 中国科学院上海药物研究所 2018-04-17 CN disclosed
CN-102675305-B Imidazopyridine compounds, as well as preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2014-11-12 CN disclosed
CN-103570683-A Multi-substituted amine compound, as well as preparation method and use thereof SHANGHAI INST MATERIA MEDICA 2014-02-12 CN disclosed
CN-103086958-A NF[kappa]B pathway activation inhibitor, preparation method thereof, pharmaceutical composition and purpose SHANGHAI INST MATERIA MEDICA 2013-05-08 CN disclosed
CN-102675305-A Imidazopyridine compounds, as well as preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2012-09-19 CN disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 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 (7 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN TRIM24 4864/4885TRIM33 4759/4885KMT2A 3397/4885
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 TRIM24 2344/4885TRIM33 2492/4885KMT2A 4253/4885
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 TRIM24 2344/4885TRIM33 2492/4885KMT2A 4253/4885
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCL12, CXCR1 TRIM24 2344/4885TRIM33 2492/4885KMT2A 4253/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 TRIM24 2344/4885TRIM33 2492/4885KMT2A 4253/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 TRIM24 2478/4885TRIM33 2741/4885KMT2A 2950/4885
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCR2, CXCR1 TRIM24 2319/4885TRIM33 2509/4885KMT2A 2692/4885

“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.