SCHEMBL4993906

SCHEMBL4993906

O=C1Nc2cccc(F)c2/C1=C\Nc1ccc(NCCN2CCCCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 3/20 0.38
FLT3 P36888 1/20 0.36
PDPK1 O15530 2/20 0.35
AKT2 P31751 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PIM1 P11309 3/20 0.35
PIM2 Q9P1W9 2/20 0.35
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
TLK2 Q86UE8 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
KCNH2 Q12809 2/20 0.34
CHRNA7 P36544 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4993911 1.00 PAK1 (0.38) PAK1FLT3PDPK1AKT2KMT2A
SCHEMBL4992651 0.92 FLT3 (0.40) PAK1FLT3PDPK1AKT2KMT2A
SCHEMBL4992654 0.92 FLT3 (0.40) PAK1FLT3PDPK1AKT2KMT2A
SCHEMBL4999383 0.91 CHRNA7 (0.37) PAK1FLT3PDPK1AKT2KMT2A
SCHEMBL4999381 0.91 CHRNA7 (0.37) PAK1FLT3PDPK1AKT2KMT2A
SCHEMBL4989507 0.91 PAK1 (0.39) PAK1FLT3AKT2PDGFRBFGFR1
SCHEMBL4989499 0.91 PAK1 (0.39) PAK1FLT3AKT2PDGFRBFGFR1
SCHEMBL4997272 0.91 PAK1 (0.39) PAK1FLT3PDPK1AKT2KMT2A
SCHEMBL4997278 0.91 PAK1 (0.39) PAK1FLT3PDPK1AKT2KMT2A
SCHEMBL4992951 0.86 ALDH1A1 (0.41) PAK1FLT3KMT2AMEN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US disclosed
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-08-31 US disclosed
US-7098236-B2 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-08-29 US disclosed
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-03-23 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-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 US disclosed
US-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2005-10-13 US disclosed
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ANDREWS STEVEN W (US) 2004-10-07 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-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-12-04 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 (7 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-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885FLT3 255/4885PDPK1 30/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885FLT3 255/4885PDPK1 30/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885FLT3 255/4885PDPK1 30/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885FLT3 255/4885PDPK1 30/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885FLT3 255/4885PDPK1 30/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885FLT3 255/4885PDPK1 30/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885FLT3 255/4885PDPK1 30/4885

“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.