SCHEMBL4396091

SCHEMBL4396091

CN(C)[C@@H]1CCN(c2nc(N)nc(N)c2-c2cccc(Cl)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.47
HTR6 P50406 3/20 0.44
MAOB P27338 1/20 0.44
HRH4 Q9H3N8 3/20 0.42
PTPN11 Q06124 3/20 0.40
RPS6KB1 P23443 1/20 0.40
MAP4K4 O95819 1/20 0.40
HTR1D P28221 2/20 0.39
HTR3A P46098 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1B P28222 1/20 0.39
MAPK8 P45983 1/20 0.39
SLC6A3 Q01959 1/20 0.39
BTK Q06187 1/20 0.39
MRGPRX2 Q96LB1 1/20 0.39
ADRA1B P35368 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
SCHEMBL4393631 1.00 DHFR (0.47) DHFRHTR6MAOBHRH4PTPN11
SCHEMBL4399755 0.85 HRH4 (0.40) HRH4PTPN11RPS6KB1MAP4K4
SCHEMBL4390452 0.85 RPS6KB1 (0.42) HTR6HRH4PTPN11RPS6KB1MAP4K4
SCHEMBL4395568 0.83 HRH4 (0.54) HRH4
SCHEMBL4395527 0.83 HRH4 (0.54) HRH4
SCHEMBL4401311 0.82 KDM4E (0.41) HRH4RPS6KB1MAP4K4
SCHEMBL4401322 0.81 HRH4 (0.56) DHFRHRH4
SCHEMBL4392417 0.79 PTPN11 (0.47) HTR6MAOBHRH4PTPN11MAP4K4
SCHEMBL4391935 0.78 DHFR (0.51) DHFRHRH4
SCHEMBL4402295 0.75 DHFR (0.54) DHFRHRH4PTPN11MAP4K4

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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA, S.A. (ES) 2009-12-10 US claimed

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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 DHFR 230/4885HTR6 15/4885MAOB 582/4885

“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.