SCHEMBL4400409

SCHEMBL4400409

CCNC1CN(c2cc(Nc3cccc(C)c3)nc(N)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.60
HRH4 Q9H3N8 9/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NOD1 Q9Y239 1/20 0.44
USP2 O75604 2/20 0.41
MAPT P10636 2/20 0.41
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.39
SLC29A2 Q14542 1/20 0.39
SLC29A1 Q99808 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
SCHEMBL4390480 0.89 HRH3 (0.62) HRH3HRH4KCNH2CYP1A2CYP2D6
SCHEMBL4398473 0.88 HRH4 (0.57) HRH3HRH4KCNH2
SCHEMBL4398073 0.88 HRH3 (0.56) HRH3HRH4NPC1RAB9ANOD1
SCHEMBL4396465 0.82 HRH3 (0.59) HRH3HRH4KCNH2
SCHEMBL4390468 0.82 HRH4 (0.61) HRH3HRH4KCNH2
SCHEMBL4396446 0.82 HRH4 (0.61) HRH3HRH4KCNH2
SCHEMBL4397683 0.80 HRH4 (0.59) HRH3HRH4KCNH2CYP1A2CYP2D6
SCHEMBL4392752 0.79 HRH4 (0.52) HRH3HRH4NPC1RAB9ANOD1
SCHEMBL4395560 0.77 HRH3 (0.46) HRH3HRH4KCNH2
SCHEMBL4395564 0.76 HRH4 (0.54) HRH3HRH4KCNH2

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 1/4885NPC1 4239/4885

“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.