SCHEMBL4878051

SCHEMBL4878051

CCCN([C]=O)n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.34
QPCT Q16769 1/20 0.34
HSD17B10 Q99714 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
TBXAS1 P24557 1/20 0.33
HTT P42858 1/20 0.31
CYP19A1 P11511 2/20 0.31
AHR P35869 1/20 0.30

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
SCHEMBL8305506 0.87 HTT (0.33) NFKB1QPCTHSD17B10QPCTLTBXAS1
SCHEMBL6668516 0.73 TBXAS1 (0.37) NFKB1QPCTHSD17B10QPCTLTBXAS1
SCHEMBL5132791 0.71 TBXAS1 (0.33) NFKB1QPCTHSD17B10QPCTLTBXAS1
SCHEMBL6008500 0.71
SCHEMBL6398854 0.70 EGLN3 (0.40) TBXAS1CYP19A1AHR
SCHEMBL29082466 0.68 TBXAS1 (0.44) NFKB1QPCTHSD17B10QPCTLTBXAS1
SCHEMBL12980246 0.67 CYP19A1 (0.33) NFKB1QPCTHSD17B10QPCTLHTT
SCHEMBL28183020 0.67 TBXAS1 (0.43) NFKB1QPCTHSD17B10QPCTLTBXAS1
SCHEMBL28182996 0.66
SCHEMBL28458584 0.66 EGLN3 (0.33) TBXAS1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312207-A1 Compounds SYNGENTA CROP PROTECTION AG (CH) 2008-12-18 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-20080312207-A1 Compounds GRK4, PTGER4, GRK5 NFKB1 560/4885QPCT 3458/4885HSD17B10 776/4885

“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.