SCHEMBL10100787

SCHEMBL10100787

Cc1cccnc1-c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
PTPRC P08575 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
PTPN13 Q12923 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADRA1A P35348 1/20 0.43
METAP2 P50579 1/20 0.42
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
PAX8 Q06710 1/20 0.41
RIN1 Q13671 1/20 0.41
NOS3 P29474 1/20 0.41

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
SCHEMBL29985883 0.98 CYP2A6 (0.53) CYP2A6PTGS1PTGS2PTPRCCTSL
SCHEMBL12914249 0.96 CYP2A6 (0.51) CYP2A6PTGS1PTGS2PTPRCCTSL
SCHEMBL19726780 0.89 TRPV1 (0.48) CYP2A6PTGS1PTGS2PTPRCCTSL
SCHEMBL30302713 0.87 PTGS2 (0.45) CYP2A6PTGS1PTGS2PTPRCCTSL
SCHEMBL31039984 0.86 TRPV1 (0.50) CYP2A6PTGS1PTGS2PTPRCCTSL
SCHEMBL30021754 0.85 PTGS2 (0.53) CYP2A6PTGS1PTGS2PTPRCCTSL
SCHEMBL17014652 0.84 CYP2A6 (0.50) CYP2A6PTGS1PTGS2PTPRCCTSL
SCHEMBL31668456 0.84 CYP2A6 (0.46) CYP2A6PTPRCCTSLCTSSPTPN13
SCHEMBL32509667 0.84 CYP2A6 (0.68) CYP2A6PTGS1PTGS2ALDH1A1METAP2
SCHEMBL64623 0.84 CYP2A6 (0.68) CYP2A6PTGS1PTGS2ALDH1A1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
EP-3227018-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS Virginia Commonwealth University (US) 2017-10-11 EP disclosed
US-8178214-B2 Material for organic electroluminescence element, organic electroluminescence element, display device and illumination device KONICA MINOLTA HOLDINGS, INC. (JP) 2012-05-15 US disclosed
US-7871713-B2 Electroluminescent material, electroluminescent element and color conversion filter KONICA CORPORATION (JP) 2011-01-18 US disclosed
US-7871713-B2 Electroluminescent material, electroluminescent element and color conversion filter KONICA CORPORATION (JP) 2011-01-18 US disclosed
US-7316851-B2 Electroluminescent material, electroluminescent element and color conversion filter KONICA CORPORATION (JP) 2008-01-08 US disclosed
US-7316851-B2 Electroluminescent material, electroluminescent element and color conversion filter KONICA CORPORATION (JP) 2008-01-08 US disclosed
US-7264890-B2 Electroluminescent material, electroluminescent element and color conversion filter KONICA CORPORATION (JP) 2007-09-04 US disclosed
US-7264890-B2 Electroluminescent material, electroluminescent element and color conversion filter KONICA CORPORATION (JP) 2007-09-04 US disclosed
US-20070184301-A1 Material for organic electroluminescence element, organic electroluminescence element, display device and illumination device KONICA MINOLTA HOLDINGS, INC. (JP) 2007-08-09 US disclosed
EP-1764401-A1 Electroluminescent material and electroluminescent element KONICA CORPORATION (JP) 2007-03-21 EP disclosed
US-20070020485-A1 Electroluminescent material, electroluminescent element and color conversion filter KONICA CORPORATION (JP) 2007-01-25 US disclosed
US-20070020485-A1 Electroluminescent material, electroluminescent element and color conversion filter KONICA CORPORATION (JP) 2007-01-25 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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 CYP2A6 2737/4885PTGS1 3211/4885PTGS2 2903/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 CYP2A6 2785/4885PTGS1 3173/4885PTGS2 2919/4885

“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.