SCHEMBL4395534

SCHEMBL4395534

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 5/20 0.58
HRH4 Q9H3N8 7/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CAMK1D Q8IU85 3/20 0.48
SYK P43405 2/20 0.48
MAP3K7 O43318 1/20 0.48
CSF1R P07333 1/20 0.48
PIM1 P11309 1/20 0.48
MAPK3 P27361 1/20 0.48
MAPK1 P28482 1/20 0.48
BLK P51451 1/20 0.48
RIPK4 P57078 1/20 0.48
CSNK2A1 P68400 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAP2K5 Q13163 1/20 0.48
MAP3K11 Q16584 1/20 0.48
AURKB Q96GD4 1/20 0.48
CTSC P53634 1/20 0.48
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4401425 0.87 HRH4 (0.57) HRH4KCNH2HRH3
SCHEMBL4391967 0.86 HRH4 (0.52) HRH4AURKBKDM4EHRH3
SCHEMBL4396416 0.84 HRH4 (0.61) HRH4KCNH2HRH3
SCHEMBL4388702 0.84 HRH4 (0.61) HRH4KCNH2HRH3
SCHEMBL4401313 0.84 HRH4 (0.53) HRH4LMNAHRH3
SCHEMBL4392752 0.84 HRH4 (0.52) HRH4KCNH2HRH3
SCHEMBL4396293 0.82 HRH4 (0.54) IDH2HRH4LMNAMAPTKCNH2
SCHEMBL4388777 0.81 HRH4 (0.49) HRH4KCNH2HRH3
SCHEMBL4398453 0.81 HRH4 (0.53) HRH4KCNH2HRH3
SCHEMBL4401308 0.80 HRH4 (0.55) HRH4KCNH2HRH3

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 IDH2 2156/4885HRH4 1/4885LMNA 4860/4885

“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.