SCHEMBL6691877

SCHEMBL6691877

Cc1cc(C)c(/C=C2\C(=O)Nc3cc(Br)ccc32)[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.81
PDGFRB P09619 3/20 0.73
KDR P35968 5/20 0.70
FLT3 P36888 4/20 0.70
ALK Q9UM73 4/20 0.70
CSF1R P07333 2/20 0.70
FGFR1 P11362 2/20 0.70
SRC P12931 2/20 0.70
FLT1 P17948 2/20 0.70
FGFR3 P22607 2/20 0.70
MAPK1 P28482 2/20 0.70
FLT4 P35916 2/20 0.70
PDPK1 O15530 2/20 0.70
PDGFRA P16234 2/20 0.70
ABL1 P00519 2/20 0.70
MEN1 O00255 1/20 0.70
NPC1 O15118 1/20 0.70
GMNN O75496 1/20 0.70
USP2 O75604 1/20 0.70
LMNA P02545 1/20 0.70

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
SCHEMBL6859701 1.00 RET (0.81) RETPDGFRBKDRFLT3ALK
SCHEMBL13081086 0.90 RET (1.00) RETPDGFRBKDRFLT3ALK
SCHEMBL6861313 0.85 CHEK1 (0.62) RETPDGFRBKDRFLT3ALK
SCHEMBL6861315 0.85 CHEK1 (0.62) RETPDGFRBKDRFLT3ALK
SCHEMBL31727128 0.84 PDGFRB (0.73) RETPDGFRBKDRFLT3ALK
Semaxanib SCHEMBL29373311 0.82 RET (1.00) RETPDGFRBKDRFLT3ALK
Semaxanib SCHEMBL29351025 0.82 RET (1.00) RETPDGFRBKDRFLT3ALK
Semaxanib SCHEMBL19572 0.82 RET (1.00) RETPDGFRBKDRFLT3ALK
Semaxanib SCHEMBL28266617 0.82 RET (1.00) RETPDGFRBKDRFLT3ALK
Semaxanib SCHEMBL19571 0.82 RET (1.00) RETPDGFRBKDRFLT3ALK

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
US-6797825-B2 1,3-DIHYDRO-2H-INDOL- 2-ONE DERIVATIVES ABBOTT LABORATORIES 2004-09-28 US disclosed
EP-1453800-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2004-09-08 EP disclosed
US-20030162785-A1 Protein kinase inhibitors ABBVIE INC. 2003-08-28 US disclosed
US-20030119839-A1 Protein kinase inhibitors ABBOTT LABORATORIES 2003-06-26 US disclosed
WO-2003051838-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-06-26 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 (2 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-20030162785-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 RET 334/4885PDGFRB 766/4885KDR 1241/4885
US-20030119839-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 RET 334/4885PDGFRB 766/4885KDR 1241/4885

“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.