SCHEMBL3211352

SCHEMBL3211352

Nc1nc(CC2CCCC2)cc(N[C@@H]2[C@@H]3CN(C(=O)O)C[C@@H]32)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.34
HRH4 Q9H3N8 2/20 0.33
HTR6 P50406 1/20 0.32
CDK1 P06493 2/20 0.31
CDK2 P24941 2/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL3211363 1.00 NUDT1 (0.34) NUDT1HRH4HTR6CDK1CDK2
SCHEMBL3211346 1.00 NUDT1 (0.34) NUDT1HRH4HTR6CDK1CDK2
SCHEMBL3190287 0.85 BACE1 (0.38)
SCHEMBL3199890 0.81 HRH4 (0.42) NUDT1HRH4CDK1CDK2
SCHEMBL3199901 0.81 HRH4 (0.42) NUDT1HRH4CDK1CDK2
SCHEMBL3199886 0.81 HRH4 (0.42) NUDT1HRH4CDK1CDK2
SCHEMBL3204314 0.80 HRH4 (0.41) NUDT1HRH4CDK1CDK2ABL1
SCHEMBL3204307 0.80 HRH4 (0.41) NUDT1HRH4CDK1CDK2ABL1
SCHEMBL3204328 0.80 HRH4 (0.41) NUDT1HRH4CDK1CDK2ABL1
SCHEMBL3190297 0.76 NUDT1 (0.31) NUDT1HRH4HTR6

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
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 NUDT1 76/4885HRH4 1/4885HTR6 37/4885

“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.