Sugi Predict

Sugi Predict / Compounds / SCHEMBL674043

SCHEMBL674043

SCHEMBL674043

c1cc2nc(c1)CNCCN(Cc1ccc(CN3CCNCc4cccc(n4)CNCCNCc4cccc(n4)C3)cc1)Cc1cccc(n1)CNCCNC2

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 16/20 0.83
▸ MEN1 O00255 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CCR2 P41597 1/20 0.46
▸ CXCL12 P48061 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ TNKS O95271 1/20 0.37

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
SCHEMBL29490423 1.00 CXCR4 (0.83) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL9213112 0.85 CXCR4 (0.88) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL15502455 0.79 CXCR4 (0.78) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL21427272 0.78 CXCR4 (0.55) CXCR4SIGMAR1
SCHEMBL31692763 0.77 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL24618863 0.76 CXCR4 (0.69) CXCR4SIGMAR1
SCHEMBL24923036 0.75 CXCR4 (0.51) CXCR4SIGMAR1
SCHEMBL9207672 0.75 CXCR4 (0.58) CXCR4SIGMAR1
SCHEMBL20623760 0.74 CXCR4 (0.57) CXCR4MEN1KMT2ASIGMAR1
SCHEMBL19058527 0.74 CXCR4 (0.50) CXCR4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161859-A1 USE OF CXCR4 ANTAGONISTS University of Washington Center for Commercialization 2021-06-03 — — US claimed
US-20150030561-A1 Use of CXCR4 Antagonists GENZYME CORP. (US) 2015-01-29 — — US claimed
EP-2709991-A1 USE OF CXCR4 ANTAGONISTS Genzyme Corporation (US) 2014-03-26 — — EP claimed
WO-2012158707-A1 USE OF CXCR4 ANTAGONISTS GENZYME CORPORATION (US) 2012-11-22 — — WO claimed
EP-2391211-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER Genzyme Corporation (US) 2011-12-07 — — EP claimed
US-20110281814-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER GENZYME CORPORATION 2011-11-17 — — US claimed
US-20110280827-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES HU YANPING (US) 2011-11-17 — — US claimed
EP-2384115-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES Genzyme Corporation (US) 2011-11-09 — — EP claimed
EP-2371361-A1 Methods to mobilize progenitor/stem cells Genzyme Global S.à.r.l. (LU) 2011-10-05 — — EP claimed
US-7935692-B2 Methods to mobilize progenitor/stem cells GENZYME CORPORATION (US) 2011-05-03 — — US claimed
WO-2010088401-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER GENZYME CORPORATION (US) 2010-08-05 — — WO claimed
WO-2010088398-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2010-08-05 — — WO claimed
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION 2010-02-11 — — US claimed
EP-0739345-B1 CYCLIC POLYAMINES ANORMED INC (CA) 2003-04-09 — — EP claimed
US-20250032549-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS ENSOMA INC (US) 2025-01-30 — — US disclosed
US-20240189387-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS ENSOMA, INC. 2024-06-13 — — US disclosed
EP-3735412-B1 COMPOSITIONS AND METHODS FOR THE EXPANSION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS AND TREATMENT OF INHERITED METABOLIC DISORDERS EDIGENE BIOTECHNOLOGY INC (CN) 2024-02-21 — — EP disclosed
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells ANORMED INC. 2006-02-16 — — US disclosed
US-6987102-B2 Methods to mobilize progenitor/stem cells ANORMED, INC. (CA) 2006-01-17 — — US disclosed
US-20050043367-A1 Methods to mobilize progenitor/stem cells ANORMED CORPORATION (CA) 2005-02-24 — — 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-20240189387-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS CXCL12, MCL1, MYADM CXCR4 11/4885MEN1 70/4885CHRM2 2571/4885
US-20210161859-A1 USE OF CXCR4 ANTAGONISTS CXCR4, CXCR2, CXCR3 CXCR4 1/4885MEN1 3707/4885CHRM2 1420/4885
US-20050043367-A1 Methods to mobilize progenitor/stem cells CXCL12, CXCR4, CXCR1 CXCR4 2/4885MEN1 4770/4885CHRM2 2457/4885
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells CXCL12, CXCR2, CXCR4 CXCR4 3/4885MEN1 4696/4885CHRM2 2486/4885
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION CCR2, CXCR4, CXCR2 CXCR4 2/4885MEN1 4046/4885CHRM2 600/4885
US-20250032549-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS CXCL12, CD44, CD47 CXCR4 7/4885MEN1 1187/4885CHRM2 1312/4885
US-20150030561-A1 Use of CXCR4 Antagonists CXCR4, CXCR2, CXCR3 CXCR4 1/4885MEN1 3707/4885CHRM2 1420/4885

“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.