SCHEMBL4994249

SCHEMBL4994249

CC(=O)c1ccc(N2CCN(c3cncc(-c4ccc(F)cc4)n3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SLC6A7 Q99884 1/20 0.44
ABCB1 P08183 2/20 0.44
ALOX5 P09917 1/20 0.44
DYRK1A Q13627 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4993330 0.89 CHEK1 (0.57) CHEK1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL5003418 0.88 CHEK1 (0.55) CHEK1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL4997065 0.88 MEN1 (0.54) CHEK1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL4997496 0.87 MAPT (0.51) CHEK1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL4997072 0.86 CHEK1 (0.54) CHEK1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL5000654 0.86 CHEK1 (0.54) CHEK1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL5000887 0.85 CHEK1 (0.47) CHEK1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL4995405 0.84 L3MBTL1 (0.46) CHEK1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL5003385 0.84 CHEK1 (0.52) CHEK1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL4995137 0.84 MEN1 (0.48) CHEK1SMN1; SMN2MAPTALDH1A1KDM4E

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 CHEK1 1668/4885SMN1; SMN2 896/4885MAPT 5/4885

“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.