SCHEMBL4997072

SCHEMBL4997072

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.54
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 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
SCHEMBL4993330 0.87 CHEK1 (0.57) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4994249 0.86 CHEK1 (0.56) CHEK1MAPTSMN1; SMN2TP53MAPK1
SCHEMBL5003418 0.86 CHEK1 (0.55) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5000654 0.84 CHEK1 (0.54) CHEK1MAPTSMN1; SMN2TP53NPC1
SCHEMBL4996860 0.83 KIF11 (0.47) CHEK1MAPTTP53NPC1RAB9A
SCHEMBL4991321 0.83 NPC1 (0.47) CHEK1MAPTSMN1; SMN2MAPK1HSD17B10
SCHEMBL5003385 0.83 CHEK1 (0.52) CHEK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL4991986 0.80 CHEK1 (0.48) CHEK1MAPTSMN1; SMN2TP53HSD17B10
SCHEMBL5003195 0.79 PIM2 (0.50) CHEK1MAPTSMN1; SMN2TP53NPC1
SCHEMBL5000689 0.79 MAPT (0.53) CHEK1MAPTSMN1; SMN2ALDH1A1HTT

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

“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.