SCHEMBL4304615

SCHEMBL4304615

O=C(O)c1coc2cc(Oc3cc(CO)ncn3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KMO O15229 1/20 0.39
TSHR P16473 1/20 0.38
MAP2K7 O14733 1/20 0.37
LTA4H P09960 1/20 0.37
ALDH2 P05091 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL12124669 0.86 KDR (0.56) KDRRETPDGFRBKITFLT1
SCHEMBL4304598 0.84 MAP2K7 (0.41) KDRRETPDGFRBKITFLT1
SCHEMBL987727 0.78 KDR (0.64) KDRRETPDGFRBKITFLT1
SCHEMBL1323975 0.78 KDR (0.75) KDRRETPDGFRBKITFLT1
SCHEMBL1325174 0.78 KDR (0.62) KDRRETPDGFRBKITFLT1
SCHEMBL4313245 0.77 KDR (0.44) KDRRETPDGFRBKITFLT1
SCHEMBL1325254 0.77 KDR (0.59) KDRRETPDGFRBKITFLT1
SCHEMBL1324887 0.77 KDR (0.65) KDRRETPDGFRBKITFLT1
SCHEMBL2788714 0.76 HTT (0.46) KDRRETPDGFRBKITFLT1
SCHEMBL1325333 0.75 MAOB (0.42) KDRMAP2K7MAOAMAOBMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 US claimed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 WO claimed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 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-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases PHKG1, MAP3K20, CDK2 KDR 1285/4885RET 286/4885PDGFRB 634/4885

“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.