SCHEMBL3148920

SCHEMBL3148920

O=C1NCC=C(n2ccnn2)N1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.34
MAP3K5 Q99683 1/20 0.32
KEAP1 Q14145 1/20 0.31
EGLN2 Q96KS0 2/20 0.31
CYP17A1 P05093 2/20 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
SCHEMBL3148924 0.68 NOTUM (0.34) NOTUMMAP3K5KEAP1EGLN2
SCHEMBL27793766 0.60
SCHEMBL16323410 0.60 CYP17A1 (0.40) NOTUMCYP17A1
SCHEMBL17728484 0.59 NOTUM (0.37) NOTUMMAP3K5KEAP1CYP17A1
SCHEMBL10447781 0.58 NOTUM (0.78) NOTUMKEAP1
SCHEMBL2732141 0.57 EGLN2 (0.39) NOTUMKEAP1EGLN2
SCHEMBL28780246 0.56 NOTUM (0.41) NOTUMKEAP1
SCHEMBL6179485 0.56
SCHEMBL4281004 0.56
SCHEMBL18075990 0.56 MAP3K5 (0.43) NOTUMMAP3K5KEAP1EGLN2

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
EP-2099776-B1 CHELATING AGENT UNIV MUENCHEN TECH (DE) 2015-10-07 EP disclosed
US-20100081799-A1 Chelating Agent TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2010-04-01 US disclosed
EP-2099776-A1 CHELATING AGENT Technische Universität München (DE) 2009-09-16 EP disclosed
WO-2008068516-A1 CHELATING AGENT Technische Universität München (DE) 2008-06-12 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-20100081799-A1 Chelating Agent HRH3, C3AR1, H1-3 NOTUM 3722/4885MAP3K5 4778/4885KEAP1 465/4885

“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.