SCHEMBL20114232

SCHEMBL20114232

CNc1cc(N2CCCC2CO)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 6/20 0.55
CHUK O15111 2/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
HRH4 Q9H3N8 7/20 0.44
BCL6 P41182 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
FPR2 P25090 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL18019876 1.00 NUDT1 (0.55) NUDT1CHUKADORA2AADORA1HRH4
SCHEMBL18019806 1.00 NUDT1 (0.55) NUDT1CHUKADORA2AADORA1HRH4
SCHEMBL17979752 0.87 NUDT1 (0.55) NUDT1CHUKADORA2AADORA1HRH4
SCHEMBL18019722 0.86 NUDT1 (0.59) NUDT1CHUKADORA2AADORA1HRH4
SCHEMBL18019871 0.86 NUDT1 (0.59) NUDT1CHUKADORA2AADORA1HRH4
SCHEMBL28174091 0.85 NUDT1 (0.50) NUDT1ADORA2AADORA1BCL6
SCHEMBL18019761 0.85 NUDT1 (0.52) NUDT1ADORA2AADORA1
SCHEMBL17979804 0.85 NUDT1 (0.52) NUDT1HRH4KCNH2HRH3
SCHEMBL18019759 0.85 NUDT1 (0.52) NUDT1ADORA2AADORA1
SCHEMBL18019760 0.85 NUDT1 (0.52) NUDT1CHUKADORA2AADORA1HRH4

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-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 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-20180118721-A1 PYRIMIDINE DERIVATIVES MTHFD1, TYMS, DPYD NUDT1 10/4885CHUK 1764/4885ADORA2A 732/4885

“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.