SCHEMBL5025532

SCHEMBL5025532

COc1ccc(-c2cnn(CCCCl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.45
FLT1 P17948 3/20 0.45
FLT4 P35916 3/20 0.45
CDK1 P06493 2/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
CDK5 Q00535 2/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
DYRK3 O43781 1/20 0.45
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
INSR P06213 1/20 0.45
FGFR1 P11362 1/20 0.45
CDK2 P24941 1/20 0.45
MARK3 P27448 1/20 0.45
FLT3 P36888 1/20 0.45
CLK2 P49760 1/20 0.45
IRAK1 P51617 1/20 0.45
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL7129520 0.92 KDR (0.40) KDRFLT1FLT4CDK1GSK3A
SCHEMBL5017543 0.85 MEN1 (0.43) KDRFLT1FLT4CDK1GSK3A
SCHEMBL5017541 0.85 MEN1 (0.43) KDRFLT1FLT4CDK1GSK3A
SCHEMBL14086583 0.83 MEN1 (0.41) KDRFLT1FLT4CDK1GSK3A
SCHEMBL11827587 0.82 MEN1 (0.58) KDRFLT1FLT4CDK1GSK3A
SCHEMBL13763422 0.80 GAA (0.47) KDRFLT1FLT4CDK1GSK3A
SCHEMBL6030409 0.80 L3MBTL1 (0.62) KDRMEN1KMT2AKCNH2GRIN2B
SCHEMBL2084049 0.79 NAMPT (0.49) KDRFLT1FLT4CDK1GSK3A
SCHEMBL5015446 0.77 KCNH2 (0.40) MKNK2MAOBKCNH2GRIN2BMAPT
SCHEMBL7126741 0.77 KCNH2 (0.40) MKNK2MAOBKCNH2GRIN2BMAPT

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 KDR 4246/4885FLT1 3164/4885FLT4 4120/4885

“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.