Cyanate

Cyanate

SCHEMBL14053752

N#C[O-].N#C[O-].[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
NISCH Q9Y2I1 1/20 0.39
METAP2 P50579 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CYP1A2 P05177 2/20 0.36
GRM5 P41594 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP19A1 P11511 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL31372462 0.84 NISCH (0.48) PIM1NISCHMETAP2HSP90AA1CYP1A2
SCHEMBL78566 0.82 NISCH (0.50) PIM1NISCHMETAP2HSP90AA1CYP1A2
SCHEMBL29598957 0.82 NISCH (0.50) PIM1NISCHMETAP2HSP90AA1CYP1A2
SCHEMBL29454745 0.82 NISCH (0.50) PIM1NISCHMETAP2HSP90AA1CYP1A2
SCHEMBL14053846 0.79 NISCH (0.48) PIM1NISCHMETAP2HSP90AA1CYP1A2
Hydrochloric Acid SCHEMBL3640139 0.79 NISCH (0.48) PIM1NISCHMETAP2HSP90AA1CYP1A2
SCHEMBL9794662 0.79 NISCH (0.48) PIM1NISCHMETAP2HSP90AA1CYP1A2
Hydrochloric Acid SCHEMBL30272980 0.76 NISCH (0.46) PIM1NISCHMETAP2HSP90AA1CYP1A2
SCHEMBL29713632 0.75 NISCH (0.42) PIM1NISCHMETAP2HSP90AA1CYP1A2
SCHEMBL29712763 0.73 CYP11B1 (0.44) PIM1NISCHMETAP2HSP90AA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778988-B2 Endoperoxides and methods of photocatalytically synthesizing endoperoxides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-15 US claimed
US-20120302523-A1 ENDOPEROXIDES AND METHODS OF PHOTOCATALYTICALLY SYNTHESIZING ENDOPEROXIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-11-29 US claimed
US-8778988-B2 Endoperoxides and methods of photocatalytically synthesizing endoperoxides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-15 US disclosed
US-20120302523-A1 ENDOPEROXIDES AND METHODS OF PHOTOCATALYTICALLY SYNTHESIZING ENDOPEROXIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-11-29 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 (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-20120302523-A1 ENDOPEROXIDES AND METHODS OF PHOTOCATALYTICALLY SYNTHESIZING ENDOPEROXIDES QSOX1, GPX4, PRDX2 PIM1 4026/4885NISCH 706/4885METAP2 1474/4885

“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.