SCHEMBL6847848

SCHEMBL6847848

[CH2]/C=C/c1ccc(-c2ccncn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
HDAC4 P56524 1/20 0.36
MAPT P10636 2/20 0.36
MAPK14 Q16539 3/20 0.35
MAPK10 P53779 2/20 0.35
MAPK9 P45984 4/20 0.34
MAPK11 Q15759 2/20 0.34
CAMKK2 Q96RR4 1/20 0.34
MAP4K4 O95819 2/20 0.33
EGFR P00533 2/20 0.33
FRK P42685 2/20 0.33
CSNK1A1 P48729 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP21A2 P08686 1/20 0.33
CYP11B1 P15538 1/20 0.33
GSK3B P49841 4/20 0.33
PRKACA P17612 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
DCLK1 O15075 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL17127126 0.81 CYP2D6 (0.47) CYP2D6HDAC4MAPTMAPK14MAPK10
SCHEMBL6756228 0.81 MAPT (0.44) CYP2D6HDAC4MAPTMAPK14MAPK10
SCHEMBL6756229 0.81 MAPT (0.44) CYP2D6HDAC4MAPTMAPK14MAPK10
SCHEMBL9903935 0.80 CYP2D6 (0.60) CYP2D6HDAC4MAPTMAPK14MAPK10
SCHEMBL6877288 0.78 CYP2D6 (0.45) CYP2D6HDAC4MAPTMAPK14MAPK10
SCHEMBL6877282 0.78 CYP2D6 (0.45) CYP2D6HDAC4MAPTMAPK14MAPK10
SCHEMBL5798370 0.78 CYP2D6 (0.47) CYP2D6HDAC4MAPTMAPK14MAPK10
SCHEMBL4820084 0.77 CYP17A1 (0.52) CYP2D6MAPTCYP17A1CYP21A2CYP11B1
SCHEMBL4818701 0.76 KDM4E (0.46) CYP2D6MAPTNPC1RAB9AHSP90AA1
SCHEMBL7027876 0.76 KDM4E (0.46) CYP2D6MAPTNPC1RAB9AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN 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-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US 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 (2 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-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 CYP2D6 199/4885HDAC4 223/4885MAPT 3982/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E CYP2D6 234/4885HDAC4 249/4885MAPT 4095/4885

“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.