SCHEMBL4391967

SCHEMBL4391967

Nc1nc(Nc2cccc(F)c2)cc(N2CC[C@@H](N)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.52
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 1/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
DPP4 P27487 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
SCHEMBL4401308 0.87 HRH4 (0.55) HRH4HRH3
SCHEMBL4396416 0.87 HRH4 (0.61) HRH4HRH3
SCHEMBL4388702 0.87 HRH4 (0.61) HRH4HRH3
SCHEMBL4392752 0.87 HRH4 (0.52) HRH4HRH3
SCHEMBL4401313 0.87 HRH4 (0.53) HRH4HRH3
SCHEMBL4395534 0.86 IDH2 (0.58) HRH4HRH3KDM4EAURKB
SCHEMBL4398453 0.85 HRH4 (0.53) HRH4HRH3
SCHEMBL4396306 0.85 HRH4 (0.46) HRH4HRH3KDM4EAURKAAURKB
SCHEMBL4388777 0.84 HRH4 (0.49) HRH4HRH3
SCHEMBL4390906 0.83 HRH4 (0.55) HRH4HRH3

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.