SCHEMBL4993547

SCHEMBL4993547

COc1ccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
MAPT P10636 4/20 0.43
CYP1A2 P05177 3/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MAP4K1 Q92918 1/20 0.42
MCHR1 Q99705 2/20 0.42
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL4995030 0.94 MET (0.51) METPIM1PIM3PIM2MAPT
SCHEMBL4996046 0.90 MAP4K1 (0.43) METPIM1PIM3PIM2MAPT
SCHEMBL4994280 0.87 MAP4K1 (0.45) MAPTMAP4K1KDM4EHPGDHSD17B10
SCHEMBL5003412 0.87 MAPT (0.52) METMAPTCYP1A2MEN1CYP2D6
SCHEMBL4997547 0.86 MAPT (0.48) PIM1PIM3PIM2MAPTMEN1
SCHEMBL5002997 0.85 MAPT (0.52) PIM1PIM3PIM2MAPTCYP1A2
SCHEMBL5000621 0.84 MAP4K1 (0.43) MAPTMAP4K1MCHR1KDM4EHPGD
SCHEMBL5000890 0.83 ALDH1A1 (0.45) MAPTMEN1KMT2AMAP4K1KDM4E
SCHEMBL4993234 0.83 RAD52 (0.42) PIM1PIM2MAPTMAP4K1SMN1; SMN2
SCHEMBL4997035 0.83 BRAF (0.47) MAPTMAP4K1SMN1; SMN2ACVR1CHEK1

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 MET 4212/4885PIM1 1047/4885PIM3 1429/4885

“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.