SCHEMBL4022228

SCHEMBL4022228

Nc1nc(N)c2ncn(CCS)c2n1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.68
CDK2 P24941 5/20 0.68
CDK1 P06493 4/20 0.68
CCNB1 P14635 4/20 0.68
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ADORA2A P29274 6/20 0.45
ADORA1 P30542 3/20 0.45
ADORA2B P29275 1/20 0.45
TMIGD3 P0DMS9 1/20 0.43
CYP2C19 P33261 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PDE8A O60658 1/20 0.42
AHCY P23526 1/20 0.41

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
SCHEMBL24709725 0.86 CCNE1 (0.72) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL5023964 0.85 CCNE1 (0.66) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL986731 0.85 CDK1 (0.66) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL4022224 0.85 CCNE1 (0.66) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL1377647 0.85 CDK1 (0.76) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL21137280 0.82 CCNE1 (0.72) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3922885 0.82 CDK1 (0.71) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL13870047 0.81 CCNE1 (0.65) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL19553605 0.81 CDK1 (0.60) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL28301970 0.81 CDK1 (0.65) CCNE1CDK2CDK1CCNB1HSP90AA1

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
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 US 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 (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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 CCNE1 3583/4885CDK2 3458/4885CDK1 2282/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 CCNE1 518/4885CDK2 1276/4885CDK1 1466/4885

“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.