SCHEMBL17289014

SCHEMBL17289014

c1cnc(CN2CCN(Cc3cnccn3)CCN(Cc3cnccn3)CCN(Cc3cnccn3)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
SCN9A Q15858 1/20 0.40
AURKA O14965 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MGLL Q99685 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
DRD4 P21917 2/20 0.38
SRPK1 Q96SB4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL16615296 0.91 TNKS (0.47) TNKSPARP1TNKS2AURKACYP1A2
SCHEMBL30222750 0.90 CHRNB2 (0.49) TNKSPARP1TNKS2CHRNB2CHRNA4
SCHEMBL21852879 0.87 CXCR4 (0.51) TNKSPARP1TNKS2KMT2AALOX15
SCHEMBL3148862 0.87 CXCR4 (0.50) TNKSPARP1TNKS2SCN9AKMT2A
SCHEMBL20329139 0.86 TNKS (0.40) TNKSPARP1TNKS2CHRNB2CHRNA4
SCHEMBL18705070 0.86 HRH3 (0.47) TNKSPARP1TNKS2SCN9AAURKA
SCHEMBL20859274 0.85 CHKA (0.47) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL21043992 0.85 KDM4E (0.43) TNKSPARP1TNKS2KDM4EMGLL
SCHEMBL22432752 0.84 SCN9A (0.42) TNKSPARP1TNKS2SCN9AKMT2A
SCHEMBL15014498 0.84 ALDH1A1 (0.49) TNKSPARP1TNKS2SCN9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4610269-A1 UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE 3B Pharmaceuticals GmbH (DE) 2025-09-03 EP disclosed
US-10450336-B2 Nitrogen-rich macrocyclic ligands, chelation complexes thereof, and process for selective chelation of radioactive bismuth ions with the ligands TRIAD NATIONAL SECURITY, LLC (US) 2019-10-22 US disclosed
US-10450336-B2 Nitrogen-rich macrocyclic ligands, chelation complexes thereof, and process for selective chelation of radioactive bismuth ions with the ligands TRIAD NATIONAL SECURITY, LLC (US) 2019-10-22 US disclosed
US-20150344508-A1 NITROGEN-RICH MACROCYCLIC LIGANDS, CHELATION COMPLEXES THEREOF, AND PROCESS FOR SELECTIVE CHELATION OF RADIOACTIVE BISMUTH IONS WITH THE LIGANDS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-03 US disclosed
US-20150344508-A1 NITROGEN-RICH MACROCYCLIC LIGANDS, CHELATION COMPLEXES THEREOF, AND PROCESS FOR SELECTIVE CHELATION OF RADIOACTIVE BISMUTH IONS WITH THE LIGANDS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-03 US disclosed
US-20150344508-A1 NITROGEN-RICH MACROCYCLIC LIGANDS, CHELATION COMPLEXES THEREOF, AND PROCESS FOR SELECTIVE CHELATION OF RADIOACTIVE BISMUTH IONS WITH THE LIGANDS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-03 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 (2 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-10450336-B2 Nitrogen-rich macrocyclic ligands, chelation complexes thereof, and process for selective chelation of radioactive bismuth ions with the ligands NCL, NCLN, POLH TNKS 1539/4885PARP1 1618/4885TNKS2 2531/4885
US-20150344508-A1 NITROGEN-RICH MACROCYCLIC LIGANDS, CHELATION COMPLEXES THEREOF, AND PROCESS FOR SELECTIVE CHELATION OF RADIOACTIVE BISMUTH IONS WITH THE LIGANDS NCL, NCLN, POLH TNKS 1539/4885PARP1 1618/4885TNKS2 2531/4885

“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.