SCHEMBL1775482

SCHEMBL1775482

Nc1nc(NC2CC2)cc(N2CCC(N)CC2)n1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.76
HRH4 Q9H3N8 12/20 0.65
CHRM3 P20309 2/20 0.52
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
HRH3 Q9Y5N1 3/20 0.50
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3992855 0.85 HRH4 (0.72) NUDT1HRH4HRH3KCNH2
SCHEMBL606661 0.85 HRH4 (0.72) NUDT1HRH4HRH3KCNH2
SCHEMBL1773825 0.84 NUDT1 (0.72) NUDT1HRH4HRH3KCNH2
SCHEMBL17979722 0.82 NUDT1 (0.67) NUDT1HRH4CHRM3PDE4APDE4B
SCHEMBL17979704 0.82 NUDT1 (0.67) NUDT1HRH4CHRM3PDE4APDE4B
SCHEMBL17979705 0.82 NUDT1 (0.67) NUDT1HRH4CHRM3PDE4APDE4B
SCHEMBL1774676 0.80 HRH4 (0.71) NUDT1HRH4HRH3
SCHEMBL1773583 0.80 HRH4 (0.54) NUDT1HRH4HRH3KCNH2
SCHEMBL603050 0.80 HRH4 (0.84) NUDT1HRH4HRH3KCNH2
SCHEMBL1774616 0.79 HRH4 (0.68) NUDT1HRH4HRH3KCNH2

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-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
EP-1966162-A2 PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2008-09-10 EP disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US disclosed
WO-2007072163-A2 PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-06-28 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP NUDT1 17/4885HRH4 184/4885CHRM3 3344/4885

“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.