SCHEMBL4380049

SCHEMBL4380049

CC(=NNC(N)=S)c1ncccc1N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
METTL3 Q86U44 1/20 0.51
RRM1 P23921 1/20 0.51
RRM2 P31350 1/20 0.51
RRM2B Q7LG56 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
CTSL P07711 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL28199380 0.81 ATM (0.48) ATMMETTL3CTSLCYP1A2
SCHEMBL2493220 0.75 NCOA3 (0.54) ATMMETTL3CTSLCYP1A2
SCHEMBL941093 0.75 TOP2A (0.70) ATMMETTL3
SCHEMBL9319994 0.75 TOP2A (0.70) ATMMETTL3
SCHEMBL941092 0.75 TOP2A (0.70) ATMMETTL3
SCHEMBL4069571 0.74 RRM1 (0.46) RRM1RRM2RRM2BCISD1CYP1A2
SCHEMBL28494134 0.74 TOP2A (0.68) ATMMETTL3
SCHEMBL28493225 0.74 TOP2A (0.68) ATMMETTL3
SCHEMBL3079901 0.74 MAPT (0.51) ATMMETTL3RRM1RRM2RRM2B
SCHEMBL28454239 0.73 METTL3 (0.44) ATMMETTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ATM 366/4885METTL3 1848/4885RRM1 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.