SCHEMBL2970722

SCHEMBL2970722

O=C(CBr)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.73
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
ALOX15 P16050 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
STAT1 P42224 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL627822 0.98 GSK3B (0.75) GSK3BHDAC1HDAC8ALDH1A1MAPT
SCHEMBL541208 0.84 GSK3B (1.00) GSK3BHDAC8ALDH1A1MAPTHPGD
SCHEMBL11379783 0.84 HDAC1 (0.57) GSK3BHDAC1HDAC8ALDH1A1MAPT
SCHEMBL655256 0.83 GSK3B (0.69) GSK3BHDAC8ALDH1A1MAPTNPC1
SCHEMBL14123719 0.83 GSK3B (0.69) GSK3BALDH1A1TSHRLMNAHSD17B10
SCHEMBL2201934 0.82 HTT (0.64) GSK3BHDAC1HDAC8ALDH1A1MAPT
SCHEMBL10418628 0.82 ALDH1A1 (0.59) GSK3BHDAC1HDAC8ALDH1A1MAPT
SCHEMBL12719169 0.81 MAPT (0.58) GSK3BHDAC1HDAC8ALDH1A1MAPT
Bromide SCHEMBL14054623 0.81 GSK3B (0.67) GSK3BALDH1A1TSHRLMNAHSD17B10
Bromide SCHEMBL8084816 0.81 GSK3B (0.67) GSK3BALDH1A1TSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136617-A1 SMALL MOLECULES CXCR4 AGONISTS, METHOD OF SYNTHESIS, AND METHOD OF USE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2025-05-01 US disclosed
WO-2023150377-A1 SMALL MOLECULE CXCR4 AGONISTS, METHOD OF SYNTHESIS, AND METHOD OF USE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-08-10 WO disclosed
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 US disclosed
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-10138234-B2 2-phenyl or 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2018-11-27 US disclosed
EP-2991983-B1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-A]PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
US-20160244441-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-08-25 US disclosed
US-7772260-B2 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-08-10 US disclosed
EP-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP disclosed
EP-1463735-A1 IMIDAZO[2,1-B]-1,3,4-THIADIAZOLE SULFONAMIDES Aegera Therapeutics Inc. (CA) 2004-10-06 EP disclosed
US-6756374-B2 CYCLIN-DEPENDENT KINASE INHIBITORS SUCH AS (4-AMINO-2-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-5-THIAZOLYL) (2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)METHANONE FOR TREATMENT OF BREAST, LUNG, COLON, AND PROSTATE CANCER/TUMORS HOFFMANN-LA ROCHE INC. 2004-06-29 US disclosed
US-20040087594-A1 Diaminothiazoles having antiproliferative activity DING QINGJIE (US) 2004-05-06 US disclosed
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles DING QINGJIE (US) 2004-04-29 US disclosed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 WO disclosed
WO-2003051890-A1 IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES AEGERA THERAPEUTICS INC. (CA) 2003-06-26 WO disclosed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US disclosed
US-6329399-B1 Antifungal amine derivatives and processing for producing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US disclosed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP 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-20040087594-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 GSK3B 1797/4885HDAC1 78/4885HDAC8 190/4885
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 GSK3B 4403/4885HDAC1 2527/4885HDAC8 2837/4885
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR GSK3B 4244/4885HDAC1 3539/4885HDAC8 2597/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 GSK3B 1797/4885HDAC1 78/4885HDAC8 190/4885
US-10138234-B2 2-phenyl or 2-hetaryl imidazol[1,2-a]pyridine derivatives CNKSR1, HCAR3, HCAR1 GSK3B 4112/4885HDAC1 1549/4885HDAC8 2235/4885
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles CDK4, CDK2, CDKL4 GSK3B 994/4885HDAC1 94/4885HDAC8 249/4885
US-20160244441-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTT, HCAR2, HCAR3 GSK3B 3680/4885HDAC1 2117/4885HDAC8 2935/4885
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 GSK3B 4403/4885HDAC1 2527/4885HDAC8 2837/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 GSK3B 4628/4885HDAC1 2646/4885HDAC8 2883/4885
US-20250136617-A1 SMALL MOLECULES CXCR4 AGONISTS, METHOD OF SYNTHESIS, AND METHOD OF USE CXCR4, CXCL12, CXCR1 GSK3B 889/4885HDAC1 2784/4885HDAC8 3025/4885

“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.