SCHEMBL5999563

SCHEMBL5999563

O=C1Nc2ccc(F)cc2/C1=C\Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
NTRK1 P04629 2/20 0.43
AURKB Q96GD4 3/20 0.43
NOTUM Q6P988 2/20 0.43
KDR P35968 5/20 0.42
FLT1 P17948 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRB P09619 4/20 0.40
FGFR1 P11362 2/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
PAK1 Q13153 1/20 0.39
KIT P10721 3/20 0.39
FLT3 P36888 3/20 0.39
HSD11B1 P28845 1/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38

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
SCHEMBL4995397 1.00 LRRK2 (0.44) LRRK2NTRK1AURKBNOTUMKDR
SCHEMBL4995391 0.93 AURKB (0.43) LRRK2NTRK1AURKBNOTUMTP53
SCHEMBL4995382 0.93 AURKB (0.43) LRRK2NTRK1AURKBNOTUMTP53
SCHEMBL4992022 0.91 NTRK1 (0.45) LRRK2NTRK1AURKBNOTUMKDR
SCHEMBL4993421 0.91 NTRK1 (0.45) LRRK2NTRK1AURKBNOTUMKDR
SCHEMBL4998912 0.90 NTRK1 (0.42) LRRK2NTRK1AURKBKDRFLT1
SCHEMBL4998914 0.90 NTRK1 (0.42) LRRK2NTRK1AURKBKDRFLT1
SCHEMBL4991648 0.89 NTRK1 (0.45) NTRK1KDRFLT1PDGFRBFGFR1
SCHEMBL4991655 0.89 NTRK1 (0.45) NTRK1KDRFLT1PDGFRBFGFR1
SCHEMBL4995927 0.89 PDGFRB (0.49) LRRK2NTRK1AURKBNOTUMTP53

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
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-08-31 US disclosed
US-7015220-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-03-21 US disclosed
US-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 US disclosed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 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 (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-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 LRRK2 369/4885NTRK1 294/4885AURKB 72/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 LRRK2 369/4885NTRK1 294/4885AURKB 72/4885

“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.