SCHEMBL4987330

SCHEMBL4987330

Nc1nccnc1N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.51
HTR2C P28335 3/20 0.49
EPHX2 P34913 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL30592058 1.00 NEK2 (0.51) NEK2HTR2CEPHX2HRH3KDM4E
SCHEMBL13116668 0.85 HTR2C (0.56) HTR2CEPHX2KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL6749589 0.84 NEK2 (0.54) NEK2HTR2CEPHX2HRH3
SCHEMBL19222134 0.79 NEK2 (0.54) NEK2KDM4EALDH1A1
SCHEMBL11361294 0.79 NEK2 (0.54) NEK2KDM4EALDH1A1
SCHEMBL122262 0.78 USP2 (0.55) HTR2CEPHX2
SCHEMBL2452548 0.76 KDM4E (0.58) NEK2KDM4EALDH1A1
SCHEMBL29512947 0.76 KDM4E (0.58) NEK2KDM4EALDH1A1
SCHEMBL23561114 0.76 HTR2C (0.49) HTR2CEPHX2KDM4EALDH1A1
SCHEMBL121912 0.76 HTR2C (0.49) HTR2CEPHX2KDM4EALDH1A1

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 disclosed

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 NEK2 1418/4885HTR2C 1763/4885EPHX2 3672/4885

“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.