SCHEMBL4814697

SCHEMBL4814697

[CH2]/C=C/c1cncc(-c2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.52
CYP3A4 P08684 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
RAF1 P04049 1/20 0.45
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
MEN1 O00255 1/20 0.43
PSIP1 O75475 1/20 0.43
AXL P30530 1/20 0.43
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
CYP19A1 P11511 3/20 0.42
CYP17A1 P05093 2/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4822624 0.86 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL4822196 0.86 PTGS2 (0.42) CYP1A2MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL4820550 0.82 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL691995 0.79
SCHEMBL691994 0.79
SCHEMBL844773 0.79 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL6654480 0.77 CYP2A6 (0.41) CYP2A6RAF1MKNK2MEN1DYRK1A
SCHEMBL6654481 0.77 CYP2A6 (0.41) CYP2A6RAF1MKNK2MEN1DYRK1A
SCHEMBL30586096 0.77 CYP2A6 (0.79) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL21808801 0.77 CYP2A6 (0.79) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP claimed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP 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-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 CYP2A6 23/4885CYP3A4 297/4885ALDH1A1 1363/4885

“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.