SCHEMBL4995032

SCHEMBL4995032

COc1ccc(OC)c(-c2cncc(N3CCN(c4ccc(F)cc4)CC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL5000702 0.89 MAPT (0.45) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL14091319 0.87 MAPT (0.55) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5003010 0.86 KMT2A (0.39) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL4997409 0.83 L3MBTL1 (0.52) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL4992856 0.82 TP53 (0.50) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL5000659 0.80 PKM (0.41) MAPTALDH1A1KDM4ETP53MAPK1
SCHEMBL4993132 0.78 MAPT (0.55) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL4995211 0.77 MEN1 (0.46) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5000912 0.77 RBP4 (0.47) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL4996131 0.76 FYN (0.43) MAPTALDH1A1HPGDNPC1RAB9A

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 MAPT 5/4885ALDH1A1 1034/4885KDM4E 3445/4885

“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.