SCHEMBL5207760

SCHEMBL5207760

O=C(O)Cn1cnc(-c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.68
CYP2C19 P33261 4/20 0.68
CYP2E1 P05181 3/20 0.68
CYP2C9 P11712 3/20 0.68
CYP2B6 P20813 3/20 0.68
CYP3A4 P08684 3/20 0.68
CYP2D6 P10635 2/20 0.66
KMO O15229 2/20 0.48
CYP19A1 P11511 1/20 0.44
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HPGDS O60760 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
FYN P06241 2/20 0.42
NAPRT Q6XQN6 1/20 0.41
CYP1A2 P05177 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
SCHEMBL5717716 0.86 CYP2E1 (0.50) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL27599853 0.86 CYP2A6 (0.65) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL5504331 0.85 CYP2A6 (0.72) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL28752050 0.83 CYP2A6 (0.66) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL28752068 0.83 CYP2A6 (0.62) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL13300562 0.83 CYP2A6 (0.74) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL3604362 0.81 CYP2A6 (1.00) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL5015514 0.81 CYP2A6 (0.70) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL6690177 0.80 CYP2A6 (0.74) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL3611128 0.79 CYP2E1 (1.00) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-6939861-B2 Amido macrolides KOSAN BIOSCIENCES, INC. (US) 2005-09-06 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
US-20030199458-A1 Amido macrolides KOSAN BIOSCIENCES, INC. 2003-10-23 US disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO 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 (4 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP2A6 522/4885CYP2C19 209/4885CYP2E1 651/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP2A6 522/4885CYP2C19 209/4885CYP2E1 651/4885
US-20030199458-A1 Amido macrolides PCSK9, ABCB4, PCSK7 CYP2A6 623/4885CYP2C19 178/4885CYP2E1 1891/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP2A6 562/4885CYP2C19 380/4885CYP2E1 494/4885

“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.