SCHEMBL5015454

SCHEMBL5015454

OCCn1cnc(-c2ccncc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.38
CSNK1D P48730 4/20 0.38
MAPK9 P45984 2/20 0.38
CSNK1A1 P48729 2/20 0.38
MAP4K5 Q9Y4K4 2/20 0.38
PRKD3 O94806 1/20 0.38
FRK P42685 1/20 0.38
GSK3B P49841 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
HDAC1 Q13547 5/20 0.37
HDAC6 Q9UBN7 5/20 0.37
CDC42BPA Q5VT25 1/20 0.37
AURKB Q96GD4 1/20 0.37
BRAF P15056 4/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MTOR P42345 1/20 0.36
BMPR1B O00238 2/20 0.36
CIT O14578 2/20 0.36
RIPK2 O43353 2/20 0.36

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
SCHEMBL5016732 0.83 USP2 (0.36) MAP4K4CSNK1DMAPK9CSNK1A1MAP4K5
SCHEMBL2279669 0.81 HDAC1 (0.40) HDAC1HDAC6MTOR
SCHEMBL15489049 0.81 MTOR (0.39) HDAC1HDAC6MTOR
SCHEMBL5015554 0.81 HDAC1 (0.55) HDAC1HDAC6USP2TSHRMAPK1
SCHEMBL10308887 0.78 TP53 (0.44) HDAC1HDAC6USP2MTOR
SCHEMBL9887875 0.75 KIF11 (0.35) HDAC1HDAC6USP2TSHR
SCHEMBL12374175 0.73 KCNH2 (0.36) HDAC1HDAC6MTOR
SCHEMBL12374178 0.71 QDPR (0.47) MTOR
SCHEMBL4128219 0.70 DYRK1A (0.41) MAP4K4CSNK1DBRAFBMPR1BCIT
SCHEMBL22792171 0.68 MTOR (0.38) MAP4K4MTOR

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 7 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
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN 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
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN 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 MAP4K4 3879/4885CSNK1D 360/4885MAPK9 3468/4885

“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.