SCHEMBL4390480

SCHEMBL4390480

CCNC1CN(c2cc(Nc3ccccc3)nc(N)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.62
HRH4 Q9H3N8 12/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
KCNH2 Q12809 1/20 0.42
PIK3CB P42338 1/20 0.41

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
SCHEMBL4397683 0.91 HRH4 (0.59) HRH3HRH4CYP1A2CYP2D6KCNH2
SCHEMBL4400409 0.89 HRH3 (0.60) HRH3HRH4CYP1A2CYP2D6KCNH2
SCHEMBL4396465 0.88 HRH3 (0.59) HRH3HRH4KCNH2
SCHEMBL4398473 0.88 HRH4 (0.57) HRH3HRH4KCNH2
SCHEMBL4398526 0.86 HRH4 (0.59) HRH3HRH4CYP1A2CYP2D6KCNH2
SCHEMBL4398069 0.80 HRH4 (0.71) HRH3HRH4KCNH2
SCHEMBL4401257 0.80 HRH4 (0.71) HRH3HRH4KCNH2
SCHEMBL4395574 0.80 HRH4 (0.71) HRH3HRH4KCNH2
SCHEMBL28229132 0.77 NUDT1 (0.61) HRH4CYP1A2CYP2D6PIK3CB
SCHEMBL2165477 0.76 HRH4 (0.67) HRH3HRH4

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 1/4885CYP1A2 948/4885

“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.