SCHEMBL5190691

SCHEMBL5190691

[c]1cccc(-c2cnccn2)c1-c1cncs1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PIM1 P11309 3/20 0.34
SCN9A Q15858 1/20 0.33
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
ADRA1D P25100 1/20 0.32
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.31
DCTPP1 Q9H773 2/20 0.30

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
SCHEMBL17201635 0.73 PIM1 (0.40) DYRK1ADYRK2DYRK1BPIM1MAPT
SCHEMBL16719595 0.71 DYRK1A (0.34) DYRK1ADYRK2DYRK1BMAPTIDO1
SCHEMBL7447711 0.68 ALDH1A1 (0.38) ALOX5APFEN1ADRA1AADRA1BADRA1D
SCHEMBL7465327 0.66 NPC1 (0.46) MAPT
SCHEMBL12853984 0.66 ALOX5AP (0.50) ALOX5APFEN1PIM1ADRA1AADRA1B
SCHEMBL12853973 0.66 ALOX5AP (0.50) ALOX5APFEN1PIM1ADRA1AADRA1B
SCHEMBL17701264 0.64 PIM1 (0.40) DYRK1ADYRK2DYRK1BPIM1MAPT
SCHEMBL14994785 0.64 DYRK1A (0.36) DYRK1ADYRK2DYRK1BPIM1MAPT
SCHEMBL2513836 0.63 PIM1 (0.58) DYRK1ADYRK2DYRK1BPIM1MAPT
SCHEMBL4072793 0.63 IDO1 (0.47) ALOX5APFEN1PIM1ADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP claimed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US claimed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP claimed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO 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-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALOX5AP 3723/4885FEN1 3185/4885DYRK1A 3320/4885

“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.