SCHEMBL3002573

SCHEMBL3002573

c1ccc2c(c1)ncn2CN(Cn1cnc2ccccc21)Cn1cnc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.68
▸ CYP11B1 P15538 6/20 0.59
▸ CYP11B2 P19099 6/20 0.59
▸ TNF P01375 1/20 0.59
▸ HTT P42858 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MAPK1 P28482 1/20 0.54
▸ EGLN3 Q9H6Z9 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TSHR P16473 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ GGPS1 O95749 1/20 0.50
▸ FDPS P14324 1/20 0.50

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
SCHEMBL11543374 0.84 TDP1 (0.53) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL9416591 0.82 FDPS (0.61) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL1708839 0.82 TDP1 (0.70) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL19911315 0.81 TDP1 (0.50) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL6442808 0.81 TDP1 (1.00) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL30564238 0.81 TDP1 (0.76) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL6794361 0.81 TDP1 (0.76) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL11536277 0.80 SMN1; SMN2 (0.49) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL3966477 0.79 TDP1 (0.73) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL11092609 0.78 TDP1 (0.66) TDP1CYP11B1CYP11B2TNFHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327549-A1 METAL-CONTAINING POLYMERS FOR MASS CYTOMETRY STANDARD BIOTOOLS CANADA INC. (CA) 2024-10-03 — — US disclosed
EP-4367164-A1 METAL-CONTAINING POLYMERS FOR MASS CYTOMETRY The Governing Council of the University of Toronto (CA) 2024-05-15 — — EP disclosed
WO-2023279211-A1 METAL-CONTAINING POLYMERS FOR MASS CYTOMETRY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-01-12 — — WO disclosed
US-8563738-B2 Ligands for copper-catalyzed azide-alkyne cycloaddition reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-22 — — US disclosed
US-20100197871-A1 LIGANDS FOR COPPER-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2010-08-05 — — US disclosed
WO-2009038685-A1 LIGANDS FOR COPPER-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-26 — — 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-20100197871-A1 LIGANDS FOR COPPER-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS AOC2, AOC1, AOC3 TDP1 3666/4885CYP11B1 1535/4885CYP11B2 1442/4885

“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.

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