SCHEMBL4991852

SCHEMBL4991852

c1ccc2sc(-c3cncc(N4CCN(c5ccncc5)CC4)n3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCK P27707 3/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP3A4 P08684 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PRKCQ Q04759 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM1A O60341 1/20 0.38
CHEK1 O14757 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
ADK P55263 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4997561 0.85 MAPT (0.51) MAPTNPC1ALDH1A1GAARAB9A
SCHEMBL4995198 0.82 MAPT (0.46) MAPTALDH1A1SMN1; SMN2
SCHEMBL5003087 0.79 MAPT (0.46) DCKMAPTALDH1A1GAASMN1; SMN2
SCHEMBL4995524 0.79 DCK (0.41) DCKCYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL4997181 0.77 MAPT (0.47) CHEK1MAPTNPC1ALDH1A1GAA
SCHEMBL4995140 0.77 CSNK1D (0.49) CYP11B1CYP11B2HRH1HRH3
SCHEMBL4992152 0.76 ALDH1A1 (0.41) CYP11B1CYP11B2CCNCCDK8KDM1A
SCHEMBL3134206 0.76 CYP19A1 (0.50) DCKCYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL4993024 0.74 RIPK3 (0.44) CYP11B1CYP11B2HRH1HRH3MAPT
SCHEMBL17827680 0.74 HRH1 (0.39) CYP19A1CYP11B1CYP11B2CHEK1HRH1

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 DCK 3302/4885CYP19A1 601/4885CYP11B1 132/4885

“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.