SCHEMBL4396473

SCHEMBL4396473

Nc1nc(Nc2ccc(F)c(Cl)c2)cc(N2CC[C@@H](N)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.50
GALR2 O43603 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.45
CDK2 P24941 4/20 0.43
MAPKAPK2 P49137 4/20 0.43
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
POLA1 P09884 1/20 0.43
ROCK2 O75116 1/20 0.42
MAPK9 P45984 1/20 0.42
GSK3B P49841 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MAPKAPK5 Q8IW41 1/20 0.42

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
SCHEMBL4398453 0.90 HRH4 (0.53) HRH4HRH3KCNH2ROCK2
SCHEMBL4390453 0.87 HRH4 (0.50) HRH4HRH3KCNH2ROCK2
SCHEMBL4401308 0.85 HRH4 (0.55) HRH4HRH3KCNH2
SCHEMBL4401313 0.85 HRH4 (0.53) HRH4HRH3
SCHEMBL4390906 0.83 HRH4 (0.55) HRH4HRH3KCNH2
SCHEMBL4391967 0.83 HRH4 (0.52) HRH4HRH3AURKAAURKB
SCHEMBL4396416 0.81 HRH4 (0.61) HRH4HRH3KCNH2
SCHEMBL4388702 0.81 HRH4 (0.61) HRH4HRH3KCNH2
SCHEMBL4395286 0.79 HRH4 (0.54) HRH4HRH3KCNH2
SCHEMBL4392752 0.78 HRH4 (0.52) HRH4HRH3KCNH2

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 1/4885GALR2 182/4885HRH3 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.