SCHEMBL4396306

SCHEMBL4396306

CN(C)[C@@H]1CCN(c2cc(Nc3cccc(F)c3)nc(N)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.46
HRH3 Q9Y5N1 4/20 0.43
KDM4E B2RXH2 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAP4K4 O95819 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
SCHEMBL4395560 0.89 HRH3 (0.46) HRH4HRH3MAP4K4
SCHEMBL4401465 0.89 HRH3 (0.45) HRH4HRH3MAP4K4
SCHEMBL4390841 0.89 HRH3 (0.45) HRH4HRH3MAP4K4
SCHEMBL4393530 0.88 HRH4 (0.50) HRH4HRH3MAP4K4
SCHEMBL4402301 0.88 HRH4 (0.50) HRH4HRH3MAP4K4
SCHEMBL4391967 0.85 HRH4 (0.52) HRH4HRH3KDM4EAURKAAURKB
SCHEMBL4393818 0.82 HRH4 (0.45) HRH4HRH3MAP4K4
SCHEMBL27738437 0.79 AURKA (0.60) HRH4HRH3AURKAAURKB
SCHEMBL3364905 0.78 ROCK2 (0.59) HRH4HRH3
SCHEMBL27738454 0.77 ROCK2 (0.53) HRH4HRH3KDM4EAURKAAURKB

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 HRH4 1/4885HRH3 3/4885KDM4E 1783/4885

“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.