SCHEMBL5000821

SCHEMBL5000821

COc1ccc(-c2cncc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
GAA P10253 1/20 0.46
MAP4K1 Q92918 2/20 0.45
RAD51 Q06609 1/20 0.44
THRB P10828 1/20 0.44
HTR7 P34969 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TGFBR1 P36897 2/20 0.41
ACVR1 Q04771 2/20 0.41
ACVR1B P36896 1/20 0.41
KCNH2 Q12809 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL4997510 0.86 MAPT (0.60) MAPTGAATHRBHTR7NPC1
SCHEMBL4992856 0.84 TP53 (0.50) MAPTGAAMAP4K1HTR7SMN1; SMN2
SCHEMBL4997110 0.84 MAP4K1 (0.48) MAPTGAAMAP4K1HTR7SMN1; SMN2
SCHEMBL4994280 0.83 MAP4K1 (0.45) MAPTGAAMAP4K1HTR7SMN1; SMN2
SCHEMBL4996131 0.83 FYN (0.43) MAPTGAAMAP4K1SMN1; SMN2NPC1
SCHEMBL5000876 0.83 ALDH1A1 (0.43) MAPTGAAMAP4K1THRBHTR7
SCHEMBL5000621 0.83 MAP4K1 (0.43) MAPTGAAMAP4K1THRBHTR7
SCHEMBL4995030 0.82 MET (0.51) MAPTGAAMAP4K1HTR7SMN1; SMN2
SCHEMBL4994661 0.81 ACVR1 (0.42) MAPTGAAMAP4K1HTR7TGFBR1
SCHEMBL5000886 0.81 MAPT (0.46) MAPTGAATHRBSMN1; SMN2RAB9A

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 5/4885GAA 2137/4885MAP4K1 980/4885

“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.