SCHEMBL4997528

SCHEMBL4997528

N#Cc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.65
HRH3 Q9Y5N1 3/20 0.50
HRH1 P35367 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
HRH4 Q9H3N8 3/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
JAK2 O60674 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.40
CYP19A1 P11511 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL4995459 0.85 CYP11B1 (0.48) CHEK1CYP11B1CYP11B2
SCHEMBL4994760 0.84 CHEK1 (0.65) CHEK1HRH3HRH1CYP11B1CYP11B2
SCHEMBL4997459 0.83 CHEK1 (0.45) CHEK1CYP11B1CYP11B2ADRB2NCF1
SCHEMBL5003462 0.83 MAPT (0.47) CHEK1HRH3HRH1CYP11B1CYP11B2
SCHEMBL5000847 0.83 CHEK1 (0.46) CHEK1CYP11B1CYP11B2KDM4ENPC1
SCHEMBL4995533 0.83 NPC1 (0.47) CHEK1HRH3HRH1CYP11B1CYP11B2
SCHEMBL4997696 0.82 CHEK1 (0.53) CHEK1HRH3CYP11B1CYP11B2HRH4
SCHEMBL4997181 0.82 MAPT (0.47) CHEK1KDM4ETP53NPC1RAB9A
SCHEMBL4997671 0.80 KDM4E (0.45) CHEK1HRH3HRH1KDM4ETP53
SCHEMBL5000709 0.80 ALDH1A1 (0.50) CHEK1HRH4NPC1RAB9A

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 3459/4885HRH1 2393/4885

“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.