SCHEMBL4380310

SCHEMBL4380310

Cc1cc(C=NNC(N)=S)ncc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM2 P31350 9/20 0.55
G6PD P11413 1/20 0.50
RRM1 P23921 1/20 0.47
RRM2B Q7LG56 1/20 0.47
CISD1 Q9NZ45 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
OPRK1 P41145 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
NCOA1 Q15788 1/20 0.42

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
SCHEMBL6264236 0.85 RRM2 (0.55) RRM2G6PDMEN1KMT2AL3MBTL1
SCHEMBL6264240 0.85 RRM2 (0.55) RRM2G6PDMEN1KMT2AL3MBTL1
SCHEMBL31753303 0.83 RRM2 (0.52) RRM2G6PDMEN1KMT2AL3MBTL1
SCHEMBL4390542 0.83 RRM2 (0.52) RRM2G6PDMEN1KMT2AL3MBTL1
SCHEMBL8683286 0.79 ALDH1A1 (0.51) RRM2G6PDMEN1KMT2AL3MBTL1
SCHEMBL8683501 0.79 RRM2 (0.48) RRM2G6PDMEN1KMT2AL3MBTL1
SCHEMBL8683429 0.78 RRM2 (0.47) RRM2G6PDMEN1KMT2AL3MBTL1
SCHEMBL4382591 0.74 RRM2 (0.67) RRM2RRM1RRM2BCISD1KDM4E
SCHEMBL7749775 0.74 RRM2 (0.67) RRM2RRM1RRM2BCISD1KDM4E
SCHEMBL31753656 0.74 RRM2 (0.67) RRM2RRM1RRM2BCISD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721259-A Method of using 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1998-02-24 US claimed
EP-0570294-B1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents UNIV YALE (US) 1997-07-30 EP claimed
US-5281715-A 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1994-01-25 US claimed
EP-0570294-A1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents YALE UNIVERSITY (US) 1993-11-18 EP claimed
WO-2025260130-A1 COMPOUNDS AND USES THEREOF THE UNIVERSITY OF MELBOURNE (AU) 2025-12-26 WO disclosed
US-20090298891-A1 Methods of Treating or Preventing Cancer Using Pyridine Carboxaldehyde Pyridine Thiosemicarbazone Radiosensitizing Agents GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETADY OF HEALTH AND HUMAN SERVICES (US) 2009-12-03 US disclosed
EP-1951230-A2 METHODS OF TREATING OR PREVENTING CANCER USING PYRIDINE CARBOXALDEHYDE PYRIDINE THIOSEMICARBAZONE RADIOSENSITIZING AGENTS Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2008-08-06 EP disclosed
WO-2007035489-A2 METHODS OF TREATING OR PREVENTING CANCER USING PYRIDINE CARBOXALDEHYDE PYRIDINE THIOSEMICARBAZONE RADIOSENSITIZING AGENTS GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-29 WO disclosed
US-5721259-A Method of using 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1998-02-24 US disclosed
EP-0570294-B1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents UNIV YALE (US) 1997-07-30 EP disclosed
US-5281715-A 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1994-01-25 US disclosed
EP-0570294-A1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents YALE UNIVERSITY (US) 1993-11-18 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 (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-20090298891-A1 Methods of Treating or Preventing Cancer Using Pyridine Carboxaldehyde Pyridine Thiosemicarbazone Radiosensitizing Agents DPYD, NTPCR, RRM2B RRM2 4/4885G6PD 125/4885RRM1 13/4885

“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.