SCHEMBL6156262

SCHEMBL6156262

[CH2]C#Cc1ccc2nccnc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2C P18825 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 3/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 5/20 0.31
MAPT P10636 4/20 0.31
ADRA2B P18089 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL6157594 0.77 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1MAPTGRM5
SCHEMBL6851890 0.77 NPC1 (0.53) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL6852232 0.77 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTGRM5
SCHEMBL4277785 0.75 MELK (0.50) KMT2AMEN1GAAHPGDPKM
SCHEMBL6854298 0.75 ERN1 (0.35) KMT2AMEN1ADRA2AADRA2CGAA
SCHEMBL29305012 0.75 ALDH1A1 (0.37) KMT2AMEN1GAAGLAHPGD
SCHEMBL738274 0.74 HDAC8 (0.41) KMT2AMEN1ADRA2AADRA2CGAA
SCHEMBL622637 0.74 CDK5 (0.47) GAAGLAALDH1A1CCNB2CDK1
SCHEMBL97819 0.74 KMT2A (0.38) KMT2AMEN1ADRA2AADRA2CGAA
Methane SCHEMBL28258537 0.72 CDK5 (0.46) GAAGLAALDH1A1CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501519-A1 9-OXIME MACROLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP claimed
US-20040014691-A1 9-Oxime macrolide antibacterials ABBOTT LABORATORIES 2004-01-22 US claimed
WO-2003090761-A1 9-OXIME MACROLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO claimed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
EP-1501519-A1 9-OXIME MACROLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20040014691-A1 9-Oxime macrolide antibacterials ABBOTT LABORATORIES 2004-01-22 US disclosed
WO-2003090761-A1 9-OXIME MACROLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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 (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-20040014691-A1 9-Oxime macrolide antibacterials CYP2C9, CYP1B1, SULT1E1 KMT2A 4107/4885MEN1 2234/4885ADRA2A 4605/4885

“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.