SCHEMBL4997465

SCHEMBL4997465

CC(=O)c1ccc(-c2cncc(N3CCN(c4ccc(C)cc4C)CC3)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 8/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL5003199 0.83 ALDH1A1 (0.48) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4991950 0.79 CYP2C9 (0.44) ALDH1A1LMNAMAPTTSHRCYP3A4
SCHEMBL4995171 0.74 MEN1 (0.42) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL4992325 0.73 MEN1 (0.43) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL5000820 0.72 PIM1 (0.48) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4995444 0.71 SMN1; SMN2 (0.50) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL4992899 0.70 CYP11B1 (0.45) MEN1KMT2AHTTLMNATP53
SCHEMBL15872030 0.68 KMT2A (0.54) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL5003384 0.66 LMNA (0.51) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4993330 0.65 CHEK1 (0.57) MEN1KMT2AHTTALDH1A1POLB

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 MEN1 1557/4885KMT2A 4601/4885HTT 347/4885

“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.