SCHEMBL4991950

SCHEMBL4991950

CC(=O)c1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TSHR P16473 1/20 0.40
CHRM1 P11229 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5003418 0.80 CHEK1 (0.55) ROCK2ROCK1MAPTALDH1A1LMNA
SCHEMBL5003199 0.79 ALDH1A1 (0.48) TSHRMAPTKDM4EALDH1A1LMNA
SCHEMBL4997465 0.79 MEN1 (0.43) CYP2C9CYP3A4CYP2A6CYP2C19TSHR
SCHEMBL4997015 0.78 NPY2R (0.42) CYP2C9ROCK2ROCK1TSHRMAPT
SCHEMBL4997769 0.77 PIM2 (0.52) CHEK1PIM2
SCHEMBL4991852 0.74 DCK (0.41) CYP3A4CHRM1CCNCCDK8CHRM2
SCHEMBL5002823 0.72 CHEK1 (0.67) ROCK2ROCK1CHEK1HDAC2PIM2
SCHEMBL4997459 0.72 CHEK1 (0.45) ROCK2ROCK1MAPTCHEK1PIM2
SCHEMBL5003407 0.72 CYP3A4 (0.47) CYP2C9CYP3A4CYP2C19ROCK1TSHR
SCHEMBL5000847 0.72 CHEK1 (0.46) ROCK2ROCK1MAPTKDM4ECHEK1

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 3 patents. 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
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US disclosed
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US disclosed

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 CYP2C9 1115/4885CYP3A4 884/4885CYP2A6 2611/4885

“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.