SCHEMBL4722710

SCHEMBL4722710

Nc1nccc2scc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.59
PLK4 O00444 3/20 0.53
MAP4K4 O95819 3/20 0.53
LCK P06239 3/20 0.53
AXL P30530 3/20 0.53
FLT4 P35916 3/20 0.53
IRAK1 P51617 3/20 0.53
NEK4 P51957 3/20 0.53
CSNK1G2 P78368 3/20 0.53
MAP4K2 Q12851 3/20 0.53
CAMK2B Q13554 3/20 0.53
HIPK4 Q8NE63 3/20 0.53
MAP4K5 Q9Y4K4 3/20 0.53
LYN P07948 2/20 0.53
PIM1 P11309 2/20 0.53
CLK2 P49760 2/20 0.53
BLK P51451 2/20 0.53
STK3 Q13188 2/20 0.53
CAMK2G Q13555 2/20 0.53
CAMK2D Q13557 2/20 0.53

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
SCHEMBL5477222 0.90 KDR (0.55) KDRPLK4MAP4K4LCKAXL
SCHEMBL5472376 0.87 KDR (0.76) KDRPLK4MAP4K4LCKAXL
SCHEMBL5468985 0.84 KDR (0.59) KDRPLK4MAP4K4LCKAXL
SCHEMBL4719687 0.82 MAP4K4 (0.78) KDRPLK4MAP4K4LCKAXL
SCHEMBL4762288 0.77 KDR (0.75) KDRPLK4MAP4K4LCKAXL
SCHEMBL3529742 0.76 KDR (0.79) KDRPLK4MAP4K4LCKAXL
SCHEMBL3531078 0.74 KDR (1.00) KDRPLK4MAP4K4LCKAXL
SCHEMBL3529396 0.73 KDR (0.68) KDRPLK4MAP4K4LCKAXL
SCHEMBL27803825 0.73 NPC1 (0.53) KDRPNLIPPRKCIPGRALDH1A1
SCHEMBL4720138 0.72 KDR (0.82) KDRPLK4MAP4K4LCKAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101336244-A 9-membered heterobicyclic compounds useful as protein kinase inhibitors ABBOTT LAB (US) 2008-12-31 CN disclosed
EP-1968979-A2 9-MEMBERED HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-09-17 EP disclosed
WO-2007067781-A2 9-MEMBERED HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2007-06-14 WO disclosed
US-20070135387-A1 Inhibitors of protein kinases ABBOTT LABORATORIES 2007-06-14 US 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-20070135387-A1 Inhibitors of protein kinases MAP3K20, PACSIN2, MAP4K2 KDR 2196/4885PLK4 230/4885MAP4K4 31/4885

“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.