SCHEMBL4382591

SCHEMBL4382591

NC(=S)NN=Cc1ccc(N)cn1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RRM2 P31350 9/20 0.67
KDM4E B2RXH2 1/20 0.51
RRM1 P23921 1/20 0.50
RRM2B Q7LG56 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
CTH P32929 1/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL31753656 1.00 RRM2 (0.67) RRM2KDM4ERRM1RRM2BCISD1
SCHEMBL7749775 1.00 RRM2 (0.67) RRM2KDM4ERRM1RRM2BCISD1
SCHEMBL783293 0.84 RRM2 (0.67) RRM2KDM4ERRM1RRM2BCISD1
SCHEMBL29420113 0.84 RRM2 (0.67) RRM2KDM4ERRM1RRM2BCISD1
SCHEMBL30094126 0.84 RRM2 (0.67) RRM2KDM4ERRM1RRM2BCISD1
SCHEMBL783292 0.84 RRM2 (0.67) RRM2KDM4ERRM1RRM2BCISD1
SCHEMBL8685653 0.77 MAPT (0.64) RRM2KDM4E
SCHEMBL6261110 0.76 RRM2 (0.71) RRM2KDM4ECTHNCOA1NCOA3
SCHEMBL6261112 0.76 RRM2 (0.71) RRM2KDM4ECTHNCOA1NCOA3
SCHEMBL534248 0.75 TOP2A (0.68) RRM2RRM1RRM2BCISD1CTH

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 24 patents — showing the first 20. 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
CN-101302192-B Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS INC 2014-01-22 CN 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
CN-101302192-A Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS INC (US) 2008-11-12 CN 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
CN-1117733-C Process for synthesis of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS INC (US) 2003-08-13 CN disclosed
EP-0984932-A4 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS INC (US) 2001-04-04 EP disclosed
EP-0988285-A4 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS INC (US) 2000-08-16 EP disclosed
US-5869676-A Process for the synthesis of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS, INC. (US) 1999-02-09 US disclosed
WO-1998051670-A1 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-11-19 WO disclosed
WO-1998051669-A1 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-11-19 WO disclosed
US-5767134-A Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-06-16 US 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 4/4885KDM4E 1184/4885RRM1 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.