SCHEMBL5806017

SCHEMBL5806017

CNc1cc(N2CCCC2)nc(Br)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 4/20 0.66
▸ CHRM3 P20309 3/20 0.41
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH4 Q9H3N8 5/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP5 P51878 1/20 0.39
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL9217636 0.81 NUDT1 (0.68) NUDT1L3MBTL1KMT2AHRH4SMN1; SMN2
SCHEMBL13299617 0.81 NUDT1 (0.68) NUDT1CHRM3PDE4APDE4BPDE4C
SCHEMBL9182925 0.79 NUDT1 (1.00) NUDT1HRH4CRHBPCRHR2SMN1; SMN2
SCHEMBL18019807 0.78 NUDT1 (1.00) NUDT1HRH4CRHBPCRHR2SMN1; SMN2
SCHEMBL12859522 0.78 NUDT1 (0.64) NUDT1CHRM3PDE4APDE4BPDE4C
SCHEMBL17979734 0.76 NUDT1 (0.93) NUDT1HRH4CRHBPCRHR2SMN1; SMN2
SCHEMBL12859521 0.74 NUDT1 (0.59) NUDT1CHRM3PDE4APDE4BPDE4C
SCHEMBL5144566 0.71 NUDT1 (0.56) NUDT1HRH4SMN1; SMN2
SCHEMBL5806011 0.69 HRH4 (0.41) NUDT1CHRM3PDE4APDE4BPDE4C
SCHEMBL5789884 0.69 NOS3 (0.41) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335906-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2006-09-27 — — EP disclosed
US-6657060-B2 Neuropeptide Y antagonists; treatment of eating disorders such as obesity and hyperphagia HOFFMAN-LA ROCHE INC. 2003-12-02 — — US disclosed
EP-1335906-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2003-08-20 — — EP disclosed
US-20020086858-A1 Pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 — — US disclosed
WO-2002038551-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2002-05-16 — — 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-20020086858-A1 Pyrimidine derivatives NPY1R, NPY5R, NPY4R NUDT1 43/4885CHRM3 3940/4885PDE4A 904/4885

“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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