SCHEMBL5017547

SCHEMBL5017547

Nc1ncnc2c1ncn2CCCC[S]

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.70
ADORA1 P30542 4/20 0.65
ADORA2B P29275 1/20 0.65
ADCY5 O95622 4/20 0.61
PI4KA P42356 3/20 0.59
PI4K2B Q8TCG2 3/20 0.59
PI4K2A Q9BTU6 3/20 0.59
PI4KB Q9UBF8 3/20 0.59
ALDH1A1 P00352 1/20 0.54
ADCY1 Q08828 1/20 0.54
NSD2 O96028 1/20 0.52
NSD3 Q9BZ95 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL2638944 0.95 ADORA2A (0.72) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL2638100 0.89 ADORA2A (0.71) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL5015473 0.86 ADORA2A (0.72) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL4906617 0.86 ADORA2A (0.72) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL20445820 0.86 ADORA2A (0.72) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL11222112 0.85 ADORA2A (0.80) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL19553487 0.84 ADORA2A (0.91) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL38913 0.84 ADORA2A (0.70) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL8972244 0.84 ADORA2A (0.70) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL5016779 0.84 ADORA2A (0.70) ADORA2AADORA1ADORA2BADCY5PI4KA

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 ADORA2A 4404/4885ADORA1 3037/4885ADORA2B 4398/4885

“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.