SCHEMBL5017543

SCHEMBL5017543

COc1ccc(-c2cnn(CCCS)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDR P35968 5/20 0.42
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
MAP4K4 O95819 2/20 0.42
NTRK1 P04629 2/20 0.42
INSR P06213 2/20 0.42
FGFR1 P11362 2/20 0.42
GSK3B P49841 2/20 0.42
NTRK2 Q16620 2/20 0.42
SLK Q9H2G2 2/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
DYRK3 O43781 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
FLT3 P36888 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL5025532 0.85 KDR (0.45) MEN1KMT2AKDRFLT1FLT4
SCHEMBL5017541 0.85 MEN1 (0.43) MEN1KMT2AKDRFLT1FLT4
SCHEMBL14086583 0.83 MEN1 (0.41) MEN1KMT2AKDRFLT1FLT4
SCHEMBL11827587 0.82 MEN1 (0.58) MEN1KMT2AKDRFLT1FLT4
SCHEMBL2641179 0.80 L3MBTL1 (0.57) MEN1KMT2AKDRKCNH2BTK
SCHEMBL13763422 0.80 GAA (0.47) KDRFLT1FLT4MAP4K4NTRK1
SCHEMBL2084049 0.79 NAMPT (0.49) MEN1KMT2AKDRFLT1FLT4
SCHEMBL7129520 0.79 KDR (0.40) MEN1KMT2AKDRFLT1FLT4
SCHEMBL5017289 0.77 HSD17B1 (0.40) MKNK2KCNH2GRIN2BMAPT
SCHEMBL5990507 0.74 CLK1 (0.51) KDRFLT1FLT4MAP4K4NTRK1

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 MEN1 1230/4885KMT2A 2571/4885KDR 4246/4885

“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.