SCHEMBL29552197

SCHEMBL29552197

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
SCHEMBL20524435 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025088147-A1 THERANOSTIC PSMA-TARGETING LIGANDS FOR THE DIAGNOSIS AND TREATMENT OF PSMA-EXPRESSING CANCERS AND THEIR SOLID PHASE SYNTHESIS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2025-05-01 WO claimed
EP-4719499-A1 COMBINATION THERAPIES FOR THE TREATMENT OF CD33-POSITIVE HEMATOLOGICAL MALIGNANCIES HARBORING MUTATIONS Actinium Pharmaceuticals, Inc. (US) 2026-04-08 EP disclosed
EP-4637821-A1 HER3 RADIOIMMUNOTHERAPY FOR THE TREATMENT OF SOLID CANCERS Actinium Pharmaceuticals, Inc. (US) 2025-10-29 EP disclosed
US-20250289875-A1 GRP78 NANOBODIES ACTINIUM PHARMACEUTICALS, INC. (US) 2025-09-18 US disclosed
US-20250163040-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2025-05-22 US disclosed
WO-2025088147-A1 THERANOSTIC PSMA-TARGETING LIGANDS FOR THE DIAGNOSIS AND TREATMENT OF PSMA-EXPRESSING CANCERS AND THEIR SOLID PHASE SYNTHESIS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2025-05-01 WO disclosed
EP-4536278-A2 BIFUNCTIONAL CHELATORS AND CONJUGATES Actinium Pharmaceuticals, Inc. (US) 2025-04-16 EP disclosed
EP-4493578-A1 TARGETED DELIVERY OF THERANOSTIC AGENTS Peter MacCallum Cancer Institute (AU) 2025-01-22 EP disclosed
WO-2024250014-A1 COMBINATION THERAPIES FOR THE TREATMENT OF CD33-POSITIVE HEMATOLOGICAL MALIGNANCIES HARBORING MUTATIONS ACTINIUM PHARMACEUTICALS, INC. (US) 2024-12-05 WO disclosed
WO-2024243315-A2 MULTI-ARM BIFUNCTIONAL CHELATORS ACTINIUM PHARMACEUTICALS, INC. (US) 2024-11-28 WO disclosed
WO-2024055040-A2 HUMANIZED ANTI-CD45 ANTIBODIES ACTINIUM PHARMACEUTICALS, INC. (US) 2024-03-14 WO disclosed
WO-2023240135-A2 BIFUNCTIONAL CHELATORS AND CONJUGATES ACTINIUM PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023220643-A2 GRP78 NANOBODIES ACTINIUM PHARMACEUTICALS, INC. (US) 2023-11-16 WO disclosed
EP-4251214-A2 METHODS FOR TREATING CANCER USING COMBINATIONS OF EPIGENETIC THERAPIES AND RADIOCONJUGATE TARGETING AGENTS Actinium Pharmaceuticals, Inc. (US) 2023-10-04 EP disclosed
WO-2023183944-A2 HER3 NANOBODIES ACTINIUM PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
EP-4247430-A1 HER3 RADIOIMMUNOTHERAPY FOR THE TREATMENT OF SOLID CANCERS Actinium Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
WO-2023173174-A1 TARGETED DELIVERY OF THERANOSTIC AGENTS PETER MACCALLUM CANCER INSTITUTE (AU) 2023-09-21 WO disclosed
WO-2023137335-A2 METHODS FOR TREATING CD33-POSITIVE HEMATOLOGICAL MALIGNANCIES ACTINIUM PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed
WO-2022115664-A2 METHODS FOR TREATING CANCER USING COMBINATIONS OF EPIGENETIC THERAPIES AND RADIOCONJUGATE TARGETING AGENTS ACTINIUM PHARMACEUTICALS, INC. (US) 2022-06-02 WO disclosed
WO-2022109404-A1 HER3 RADIOIMMUNOTHERAPY FOR THE TREATMENT OF SOLID CANCERS ACTINIUM PHARMACEUTICALS, INC. (US) 2022-05-27 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 (1 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-20250163040-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.