SCHEMBL5207869

SCHEMBL5207869

Cc1nc2ccncc2cc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
SIRT3 Q9NTG7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IKBKB O14920 1/20 0.41
NNMT P40261 1/20 0.41
CDC7 O00311 1/20 0.41
ALDH1A1 P00352 2/20 0.41
DYRK1A Q13627 4/20 0.40
CDK5 Q00535 3/20 0.40
CLK1 P49759 3/20 0.40
CDK5R1 Q15078 2/20 0.40
CLK2 P49760 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
CLK3 P49761 1/20 0.40

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
SCHEMBL841350 0.85 MEN1 (0.61) KDM4ESIRT3TDP1HTTMEN1
SCHEMBL22388 0.78 IKBKB (0.67) KDM4EHTTMEN1KMT2AIKBKB
SCHEMBL31443745 0.78 IKBKB (0.67) KDM4EHTTMEN1KMT2AIKBKB
SCHEMBL5717596 0.77 KDM4E (0.44) KDM4ESIRT3TDP1HTTKMT2A
SCHEMBL9881346 0.75 SIRT3 (0.59) KDM4ESIRT3TDP1HTTMKNK1
SCHEMBL9881345 0.75 SIRT3 (0.59) KDM4ESIRT3TDP1HTTMKNK1
SCHEMBL26741374 0.74 TSHR (0.65) KDM4EHTTMEN1KMT2AIKBKB
SCHEMBL12648006 0.74 IKBKB (0.45) KDM4ESIRT3TDP1HTTMEN1
SCHEMBL3892453 0.74 KDM4E (0.58) KDM4EHTTALDH1A1DYRK1ACLK1
SCHEMBL5799476 0.74 KDM4E (0.48) KDM4ESIRT3TDP1HTTKMT2A

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 7 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-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
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 (3 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 KDM4E 1204/4885SIRT3 680/4885TDP1 3408/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885SIRT3 680/4885TDP1 3408/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KDM4E 1358/4885SIRT3 549/4885TDP1 2834/4885

“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.