SCHEMBL4995301

SCHEMBL4995301

c1ccc(Oc2ccc(-c3cncc(N4CCN(c5ccccn5)CC4)n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
TP53 P04637 4/20 0.51
HTT P42858 3/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 6/20 0.48
TSHR P16473 5/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.45
FYN P06241 1/20 0.43
SLC6A2 P23975 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
SCHEMBL4995514 0.86 HPGD (0.46) MAPTLMNANPC1RAB9AHTT
SCHEMBL4997726 0.85 HRH1 (0.51) MAPK1MAPTNPC1RAB9AHTT
SCHEMBL5003471 0.84 MAPT (0.54) MAPK1MAPTLMNANPC1RAB9A
SCHEMBL4997684 0.84 BCHE (0.54) MAPK1MAPTLMNANPC1RAB9A
SCHEMBL5000896 0.84 DRD2 (0.58) MAPK1MAPTLMNANPC1RAB9A
SCHEMBL4992059 0.82 POLB (0.51) MAPK1MAPTLMNANPC1RAB9A
SCHEMBL5000610 0.81 SORD (0.51) MAPK1MAPTLMNANPC1RAB9A
SCHEMBL4997696 0.81 CHEK1 (0.53) MAPK1MAPTLMNANPC1RAB9A
SCHEMBL5000827 0.80 ALDH1A1 (0.51) MAPK1MAPTLMNANPC1RAB9A
SCHEMBL4997188 0.79 HRH3 (0.53) MAPK1MAPTLMNANPC1RAB9A

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C MAPK1 545/4885MAPT 5/4885LMNA 2743/4885

“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.