SCHEMBL5025564

SCHEMBL5025564

CC(S)n1cnc2cncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
PI4KB Q9UBF8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
CYP3A4 P08684 7/20 0.34
CYP1A2 P05177 6/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP2C9 P11712 4/20 0.34
HSD17B10 Q99714 4/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LTA4H P09960 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
TSHR P16473 4/20 0.32
CCNA2 P20248 2/20 0.32

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
SCHEMBL30539287 0.85 ADORA2A (0.47) FDPSPI4KBADORA2AADORA2BADORA1
SCHEMBL754943 0.85 ADORA2A (0.47) FDPSPI4KBADORA2AADORA2BADORA1
SCHEMBL22571187 0.79 ADORA2A (0.53) FDPSPI4KBADORA2AADORA2BADORA1
SCHEMBL19392060 0.78 FDPS (0.38) FDPSPI4KBADORA2AADORA2BADORA1
SCHEMBL19392006 0.78 FDPS (0.38) FDPSPI4KBADORA2AADORA2BADORA1
SCHEMBL28186936 0.78 FDPS (0.43) FDPSCYP3A4CYP1A2ALDH1A1CYP2C9
SCHEMBL1831228 0.77 USP5 (0.48) FDPSCYP3A4CYP1A2ALDH1A1CYP2C9
SCHEMBL28038040 0.76 FDPS (0.43) FDPSPI4KBADORA2AADORA2BADORA1
SCHEMBL28065392 0.75 FDPS (0.44) FDPSCYP3A4CYP1A2ALDH1A1CYP2C9
SCHEMBL27531816 0.74 FDPS (0.39) FDPSCYP3A4CYP1A2ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 FDPS 2457/4885PI4KB 4448/4885ADORA2A 4404/4885

“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.