SCHEMBL5003385

SCHEMBL5003385

CCOc1ccc(-c2cncc(N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.52
HRH3 Q9Y5N1 6/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PORCN Q9H237 1/20 0.44
ABCB1 P08183 2/20 0.44
HTR7 P34969 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44

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 0.85 CHEK1 (0.46) CHEK1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4993330 0.85 CHEK1 (0.57) CHEK1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5000885 0.84 NPC1 (0.47) CHEK1HRH3KMT2AMEN1SMN1; SMN2
SCHEMBL4994249 0.84 CHEK1 (0.56) CHEK1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4997514 0.84 MAPT (0.50) CHEK1SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL5003418 0.84 CHEK1 (0.55) CHEK1HRH3KMT2AMEN1SMN1; SMN2
SCHEMBL4997671 0.84 KDM4E (0.45) CHEK1HRH3KMT2AMEN1SMN1; SMN2
SCHEMBL4987763 0.83 CYP11B1 (0.56) CHEK1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL5000654 0.83 CHEK1 (0.54) CHEK1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4997072 0.83 CHEK1 (0.54) CHEK1KMT2AMEN1SMN1; SMN2KDM4E

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 1668/4885HRH3 3459/4885KMT2A 4601/4885

“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.