SCHEMBL4760440

SCHEMBL4760440

Cn1cc(-c2cnc(N)c3c(C(=O)Nc4cccc(NC(=O)c5ccccc5)c4)csc23)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.65
KDR P35968 14/20 0.63
AURKB Q96GD4 11/20 0.63
AURKA O14965 5/20 0.60
PLK4 O00444 4/20 0.60
MAP4K4 O95819 4/20 0.60
ABL1 P00519 4/20 0.60
NTRK1 P04629 4/20 0.60
INSR P06213 4/20 0.60
FYN P06241 4/20 0.60
CSF1R P07333 4/20 0.60
LYN P07948 4/20 0.60
MET P08581 4/20 0.60
FGFR1 P11362 4/20 0.60
SRC P12931 4/20 0.60
FLT1 P17948 4/20 0.60
RPS6KB1 P23443 4/20 0.60
EPHA2 P29317 4/20 0.60
BLK P51451 4/20 0.60
NEK2 P51955 4/20 0.60

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
SCHEMBL4762920 0.94 KDR (0.69) BTKKDRAURKBAURKAPLK4
SCHEMBL5475882 0.93 KDR (0.73) BTKKDRAURKBAURKAPLK4
SCHEMBL5472360 0.89 KDR (0.63) BTKKDRAURKBAURKAPLK4
SCHEMBL4821973 0.89 KDR (0.80) BTKKDRAURKBAURKAPLK4
SCHEMBL4763363 0.88 KDR (0.78) BTKKDRAURKBAURKAPLK4
SCHEMBL4762975 0.87 KDR (0.74) BTKKDRAURKBAURKAPLK4
SCHEMBL4762818 0.87 KDR (0.73) BTKKDRAURKBAURKAPLK4
SCHEMBL5472468 0.86 KDR (0.82) BTKKDRAURKBAURKAPLK4
SCHEMBL4761751 0.86 AURKA (0.66) BTKKDRAURKBAURKAPLK4
SCHEMBL4720470 0.85 KDR (0.82) BTKKDRAURKBAURKAPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BTK 373/4885KDR 2196/4885AURKB 277/4885

“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.