SCHEMBL4401313

SCHEMBL4401313

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.53
HRH3 Q9Y5N1 1/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
ROCK1 Q13464 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
PAK4 O96013 2/20 0.47
LMNA P02545 1/20 0.43

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
SCHEMBL4388702 0.87 HRH4 (0.61) HRH4HRH3
SCHEMBL4396416 0.87 HRH4 (0.61) HRH4HRH3
SCHEMBL4391967 0.87 HRH4 (0.52) HRH4HRH3
SCHEMBL4392752 0.87 HRH4 (0.52) HRH4HRH3
SCHEMBL4396473 0.85 HRH4 (0.50) HRH4HRH3
SCHEMBL4395534 0.84 IDH2 (0.58) HRH4HRH3LMNA
SCHEMBL4388777 0.84 HRH4 (0.49) HRH4HRH3
SCHEMBL4398453 0.83 HRH4 (0.53) HRH4HRH3ROCK1
SCHEMBL27738440 0.81 HRH4 (0.51) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL27717385 0.81 HRH4 (0.67) HRH4HRH3HTR3EHTR3BHTR3A

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 3/4885HTR3E 68/4885

“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.