SCHEMBL4402295

SCHEMBL4402295

CCNC1CN(c2nc(N)nc(N)c2-c2cccc(Cl)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.54
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 3/20 0.46
MAP4K4 O95819 1/20 0.39
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
PTPN11 Q06124 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
SCHEMBL4401322 0.92 HRH4 (0.56) DHFRHRH4HRH3
SCHEMBL4391935 0.88 DHFR (0.51) DHFRHRH4HRH3
SCHEMBL4395287 0.85 HRH3 (0.44) DHFRHRH4HRH3HEXAHEXB
SCHEMBL4396029 0.83 HRH3 (0.46) HRH4HRH3HEXAHEXBPTPN11
SCHEMBL4395568 0.82 HRH4 (0.54) HRH4HRH3
SCHEMBL4395527 0.82 HRH4 (0.54) HRH4HRH3
SCHEMBL4398505 0.77 HRH4 (0.59) DHFRHRH4HRH3HEXAHEXB
SCHEMBL4396091 0.75 DHFR (0.47) DHFRHRH4MAP4K4PTPN11
SCHEMBL4393631 0.75 DHFR (0.47) DHFRHRH4MAP4K4PTPN11
SCHEMBL4396453 0.74 HRH4 (0.50) DHFRHRH4HRH3PTPN11

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 230/4885HRH4 1/4885HRH3 3/4885

“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.