SCHEMBL20524435

SCHEMBL20524435

Nc1cc(CN2CCOCCOCCN(Cc3cccc(C(=O)O)n3)CCOCCOCC2)nc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.53
JAK2 O60674 2/20 0.40
KCNH2 Q12809 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
JAK3 P52333 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX15 P16050 1/20 0.38
NCF1 P14598 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38
SCN9A Q15858 2/20 0.38
CYP2A13 Q16696 1/20 0.37
PIK3CA P42336 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 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
SCHEMBL29552271 1.00 CXCR4 (0.53) CXCR4JAK2KCNH2SMN1; SMN2HTT
SCHEMBL29552197 1.00 CXCR4 (0.53) CXCR4JAK2KCNH2SMN1; SMN2HTT
SCHEMBL23140153 0.91 CXCR4 (0.46) CXCR4JAK2KCNH2SMN1; SMN2JAK3
SCHEMBL29892433 0.89 CXCR4 (0.67) CXCR4JAK2KCNH2SMN1; SMN2HTT
SCHEMBL31679393 0.89 CXCR4 (0.67) CXCR4JAK2KCNH2SMN1; SMN2HTT
SCHEMBL22009968 0.89 CXCR4 (0.67) CXCR4JAK2KCNH2SMN1; SMN2HTT
SCHEMBL26908105 0.88 CXCR4 (0.69) CXCR4JAK2KCNH2SMN1; SMN2HTT
SCHEMBL465725 0.88 CXCR4 (0.69) CXCR4JAK2KCNH2SMN1; SMN2HTT
SCHEMBL31679380 0.88 CXCR4 (0.69) CXCR4JAK2KCNH2SMN1; SMN2HTT
SCHEMBL26241425 0.87 CXCR4 (0.44) CXCR4JAK2KCNH2SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12377175-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies CORNELL UNIVERSITY (US) 2025-08-05 US disclosed
US-20250214985-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2025-07-03 US disclosed
US-12268759-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies CORNELL UNIVERSITY (US) 2025-04-08 US disclosed
US-12258339-B2 Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer CORNELL UNIVERSITY (US) 2025-03-25 US disclosed
EP-4458418-A2 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER Cornell University (US) 2024-11-06 EP disclosed
US-12103922-B2 Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer CORNELL UNIVERSITY (US) 2024-10-01 US disclosed
EP-3600452-B1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER UNIV CORNELL (US) 2024-09-04 EP disclosed
US-20240050599-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2024-02-15 US disclosed
US-20230372550-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2023-11-23 US disclosed
US-20230372550-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2023-11-23 US disclosed
US-10806806-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies CORNELL UNIVERSITY (US) 2020-10-20 US disclosed
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2020-05-21 US disclosed
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2020-05-21 US disclosed
EP-3609541-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES Cornell University (US) 2020-02-19 EP disclosed
EP-3600452-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER Cornell University (US) 2020-02-05 EP disclosed
CN-110612126-A Tri-functional constructs with tunable pharmacokinetics useful for imaging and anti-tumor therapy 康奈尔大学 2019-12-24 CN disclosed
US-20190015531-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY 2019-01-17 US disclosed
US-20190015531-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY 2019-01-17 US disclosed
WO-2018187631-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2018-10-11 WO disclosed
WO-2018183906-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2018-10-04 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 (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-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CXCR4 2897/4885JAK2 2830/4885KCNH2 3819/4885
US-20240050599-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 CXCR4 2506/4885JAK2 4340/4885KCNH2 4382/4885
US-20230372550-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA7, SLC39A14, ARCN1 CXCR4 1098/4885JAK2 1730/4885KCNH2 2073/4885
US-10806806-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies VHL, GLS, GPER1 CXCR4 2506/4885JAK2 4340/4885KCNH2 4382/4885
US-12377175-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies VHL, GLS, GPER1 CXCR4 2506/4885JAK2 4340/4885KCNH2 4382/4885
US-12258339-B2 Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer PSMA1, FOLH1, KLK3 CXCR4 2897/4885JAK2 2830/4885KCNH2 3819/4885
US-12268759-B2 Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies VHL, GLS, GPER1 CXCR4 2506/4885JAK2 4340/4885KCNH2 4382/4885
US-20190015531-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 CXCR4 2506/4885JAK2 4340/4885KCNH2 4382/4885
US-12103922-B2 Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer PSMA1, KLK3, FOLH1 CXCR4 2448/4885JAK2 2264/4885KCNH2 3697/4885
US-20250214985-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CXCR4 2897/4885JAK2 2830/4885KCNH2 3819/4885

“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.