SCHEMBL4390422

SCHEMBL4390422

CN1CCCN(c2cc(Nc3ccc(Cl)cc3)nc(N)n2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.64
HRH3 Q9Y5N1 2/20 0.55
AURKA O14965 1/20 0.54
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
NUDT1 P36639 1/20 0.50

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
SCHEMBL4394700 0.88 HRH4 (0.62) HRH4HRH3NUDT1
SCHEMBL27738427 0.83 HRH4 (0.69) HRH4HRH3AURKA
SCHEMBL2165477 0.83 HRH4 (0.67) HRH4HRH3
SCHEMBL27717385 0.82 HRH4 (0.67) HRH4HRH3AURKA
SCHEMBL4395940 0.78 HRH4 (0.57) HRH4HRH3
SCHEMBL4397043 0.78 HRH4 (0.52) HRH4HRH3
SCHEMBL1774506 0.77 HRH4 (0.71) HRH4HRH3CYP1A2
SCHEMBL16822259 0.77 HRH4 (0.67) HRH4HRH3
SCHEMBL27717377 0.76 HRH4 (0.67) HRH4HRH3AURKA
SCHEMBL28229132 0.76 NUDT1 (0.61) HRH4CYP1A2NUDT1

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 1/4885HRH3 3/4885AURKA 1287/4885

“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.