SCHEMBL4394700

SCHEMBL4394700

CN1CCCN(c2cc(Nc3ccccc3)nc(N)n2)CC1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.62
HTR3A P46098 1/20 0.56
HRH3 Q9Y5N1 3/20 0.56
NUDT1 P36639 1/20 0.52

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
SCHEMBL2165477 0.95 HRH4 (0.67) HRH4HTR3AHRH3
SCHEMBL28229132 0.88 NUDT1 (0.61) HRH4NUDT1
SCHEMBL4390422 0.88 HRH4 (0.64) HRH4HRH3NUDT1
SCHEMBL4397043 0.85 HRH4 (0.52) HRH4HRH3
SCHEMBL4395940 0.85 HRH4 (0.57) HRH4HRH3
SCHEMBL27738427 0.82 HRH4 (0.69) HRH4HRH3
SCHEMBL4401397 0.82 HRH4 (0.91) HRH4HRH3
SCHEMBL27738437 0.82 AURKA (0.60) HRH4HRH3
SCHEMBL27717385 0.82 HRH4 (0.67) HRH4HTR3AHRH3
SCHEMBL28736434 0.80 PIK3CB (0.67) HRH4NUDT1

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 3 patents. 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 disclosed
EP-1928862-A1 2-AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR ACTIVITY Palau Pharma, S.A. (ES) 2008-06-11 EP disclosed
WO-2007031529-A1 2-AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR ACTIVITY PALAU PHARMA, S.A. (ES) 2007-03-22 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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 HRH4 1/4885HTR3A 71/4885HRH3 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.