SCHEMBL4396029

SCHEMBL4396029

CCNC1CN(c2nc(N)nc(N)c2-c2ccc(F)c(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
HRH4 Q9H3N8 8/20 0.40
KCNH2 Q12809 4/20 0.39
GPR68 Q15743 1/20 0.38
PTPN11 Q06124 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL4395287 0.90 HRH3 (0.44) HRH3HRH4KCNH2PTPN11HEXA
SCHEMBL4399752 0.87 HRH4 (0.46) HRH3HRH4KCNH2HRH2HRH1
SCHEMBL4402295 0.83 DHFR (0.54) HRH3HRH4PTPN11HEXAHEXB
SCHEMBL4397056 0.81 HRH4 (0.53) HRH3HRH4KCNH2
SCHEMBL4398078 0.81 HRH4 (0.53) HRH3HRH4KCNH2
SCHEMBL4393790 0.79 HRH4 (0.44) HRH3HRH4KCNH2HRH2HRH1
SCHEMBL4398527 0.78 HRH4 (0.43) HRH3HRH4KCNH2PTPN11HRH2
SCHEMBL4401146 0.76 HRH4 (0.42) HRH3HRH4KCNH2HRH2HRH1
SCHEMBL4401322 0.76 HRH4 (0.56) HRH3HRH4KCNH2
SCHEMBL4390452 0.76 RPS6KB1 (0.42) HRH3HRH4PTPN11RPS6KB1

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 HRH3 3/4885HRH4 1/4885KCNH2 824/4885

“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.