SCHEMBL3209557

SCHEMBL3209557

Nc1nc(O)cc(CC2CCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.36
HRH4 Q9H3N8 2/20 0.35
AAK1 Q2M2I8 2/20 0.35
DRD2 P14416 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CDK2 P24941 3/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CCNA1 P78396 2/20 0.33
APP P05067 1/20 0.33
FEN1 P39748 1/20 0.32
CYP11B2 P19099 1/20 0.32
CCNB2 O95067 1/20 0.32
MAPK3 P27361 1/20 0.32
CLK1 P49759 1/20 0.32
CDK5 Q00535 1/20 0.32
PIN1 Q13526 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
MAP3K5 Q99683 1/20 0.32

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
SCHEMBL3188454 0.98 HTR6 (0.38) HTR6HRH4AAK1DRD2GPR84
SCHEMBL4410427 0.93 DHFR (0.33) HTR6HRH4
SCHEMBL3210565 0.79 HSP90AB1 (0.47) HTR6HRH4
SCHEMBL4409035 0.74 ADORA2A (0.37) HRH4CDK2
SCHEMBL601156 0.72 HRH3 (0.65) HRH4
SCHEMBL5748463 0.71 HSP90AB1 (0.50) HRH4
SCHEMBL2118395 0.71 HRH4 (0.39) HTR6HRH4AAK1GPR84
SCHEMBL21573227 0.71 HRH4 (0.39) HTR6HRH4AAK1GPR84
SCHEMBL10617526 0.70 HSP90AB1 (0.39) HRH4
SCHEMBL5748988 0.70 HRH3 (0.46) HRH4CDK2CDK1

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 6 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
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 disclosed
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 HTR6 37/4885HRH4 1/4885AAK1 968/4885

“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.