SCHEMBL4301949

SCHEMBL4301949

O=C(O)c1csc2cc(Oc3ccnc(CO)n3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
KDR P35968 6/20 0.37
NR1H4 Q96RI1 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
LMNA P02545 2/20 0.35
PDE4B Q07343 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL12124621 0.86 KDR (0.52) KDRLOXL2RETFLT1
SCHEMBL4301943 0.84 KDR (0.44) TBXAS1KDRNR1H4LOXL2LMNA
SCHEMBL1325173 0.80 KDR (0.47) KDRMAPTHTTRETFLT1
SCHEMBL3582067 0.80 KDR (0.53) KDRRETFLT1
SCHEMBL4313245 0.79 KDR (0.44) TBXAS1KDRNR1H4LOXL2ITGB3
SCHEMBL1324053 0.78 KDR (0.43) KDRRETFLT1
SCHEMBL1325243 0.78 KDR (0.59) KDRHSD17B10SMN1; SMN2RETFLT1
SCHEMBL1324999 0.78 KDR (0.49) KDRRETFLT1
SCHEMBL1324971 0.78 KDR (0.46) KDRRETFLT1
SCHEMBL1323994 0.78 KDR (0.42) KDRRETFLT1

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 TBXAS1 905/4885KDR 1285/4885NR1H4 1872/4885

“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.