SCHEMBL4396453

SCHEMBL4396453

CNC1CN(c2nc(N)nc(N)c2-c2cccc(F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.50
HRH3 Q9Y5N1 13/20 0.45
KCNH2 Q12809 5/20 0.45
HRH1 P35367 3/20 0.42
HRH2 P25021 2/20 0.42
DHFR P00374 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL4398537 0.91 HRH4 (0.54) HRH4HRH3KCNH2
SCHEMBL4394799 0.91 HRH4 (0.54) HRH4HRH3KCNH2
SCHEMBL4391935 0.86 DHFR (0.51) HRH4HRH3KCNH2DHFR
SCHEMBL4388710 0.85 HRH4 (0.46) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL4399752 0.85 HRH4 (0.46) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL4390834 0.84 HRH4 (0.45) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL4398505 0.84 HRH4 (0.59) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL4396098 0.83 HRH4 (0.44) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL4393790 0.83 HRH4 (0.44) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL4398527 0.82 HRH4 (0.43) HRH4HRH3KCNH2HRH1HRH2

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 HRH4 1/4885HRH3 3/4885KCNH2 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.