SCHEMBL5000885

SCHEMBL5000885

CCOc1ccc(-c2cncc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 8/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CHEK1 O14757 3/20 0.46
NPSR1 Q6W5P4 2/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CACNA2D1 P54289 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL4991797 0.89 CHEK1 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4997409 0.88 L3MBTL1 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4997671 0.88 KDM4E (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4997514 0.88 MAPT (0.50) NPC1RAB9AMAPTCHEK1KDM4E
SCHEMBL4997065 0.88 MEN1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5003385 0.84 CHEK1 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4991687 0.84 CYP11B1 (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4995137 0.84 MEN1 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5003465 0.84 MEN1 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5000890 0.82 ALDH1A1 (0.45) NPC1RAB9AMEN1KMT2AMAPT

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 NPC1 2008/4885RAB9A 2969/4885MEN1 1557/4885

“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.