SCHEMBL4987763

SCHEMBL4987763

COc1ccc2cc(-c3cncc(N4CCN(c5ccc(C(C)=O)cc5)CC4)n3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
PIM3 Q86V86 1/20 0.50
MAPT P10636 5/20 0.48
CHEK1 O14757 4/20 0.47
PIM2 Q9P1W9 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 1/20 0.43
CHEK2 O96017 1/20 0.43
GAA P10253 1/20 0.42
DYRK1A Q13627 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5000881 0.84 MAPT (0.47) CYP11B1CYP11B2MAPTCHEK1ALDH1A1
SCHEMBL5003385 0.83 CHEK1 (0.52) MAPTCHEK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5003109 0.82 ALDH1A1 (0.55) MAPTPIM2ALDH1A1NPC1RAB9A
SCHEMBL4996131 0.82 FYN (0.43) CYP11B1CYP11B2CYP1A2CYP3A4PIM3
SCHEMBL4996932 0.82 CHEK1 (0.67) PIM3MAPTCHEK1ALDH1A1CHEK2
SCHEMBL4993330 0.82 CHEK1 (0.57) MAPTCHEK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4994249 0.81 CHEK1 (0.56) MAPTCHEK1ALDH1A1KMT2ADYRK1A
SCHEMBL5003418 0.80 CHEK1 (0.55) MAPTCHEK1PIM2ALDH1A1KMT2A
SCHEMBL5003195 0.80 PIM2 (0.50) MAPTCHEK1PIM2SMN1; SMN2NPC1
SCHEMBL5000887 0.80 CHEK1 (0.47) CYP11B1CYP11B2MAPTCHEK1PIM2

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 CYP11B1 132/4885CYP11B2 112/4885CYP1A2 743/4885

“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.