SCHEMBL4989507

SCHEMBL4989507

O=C1Nc2cccc(F)c2C1=CNc1ccc(NCCN2CCOCC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 3/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
MAPK14 Q16539 1/20 0.39
BCL3 P20749 2/20 0.38
FLT3 P36888 2/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
AKT2 P31751 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAP3K8 P41279 1/20 0.36

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
SCHEMBL4989499 1.00 PAK1 (0.39) PAK1JAK2TYK2MAPK14BCL3
SCHEMBL4992957 0.95 ALDH1A1 (0.41) PAK1BCL3FLT3PIK3CAALDH1A1
SCHEMBL4992951 0.95 ALDH1A1 (0.41) PAK1BCL3FLT3PIK3CAALDH1A1
SCHEMBL4993906 0.91 PAK1 (0.38) PAK1FLT3PDGFRBFGFR1KDR
SCHEMBL4993911 0.91 PAK1 (0.38) PAK1FLT3PDGFRBFGFR1KDR
SCHEMBL4987537 0.89 PAK1 (0.43) PAK1MAPK14FLT3PDGFRBFGFR1
SCHEMBL4987546 0.89 PAK1 (0.43) PAK1MAPK14FLT3PDGFRBFGFR1
SCHEMBL4995743 0.88 FLT3 (0.43) PAK1FLT3PDGFRBPIK3CAGAA
SCHEMBL4995756 0.88 FLT3 (0.43) PAK1FLT3PDGFRBPIK3CAGAA
SCHEMBL4999014 0.88 ERBB2 (0.44) PAK1FLT3PDGFRBPIK3CAGAA

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-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-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
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP 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
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 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 (6 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 175/4885JAK2 90/4885TYK2 481/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885JAK2 90/4885TYK2 481/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885JAK2 90/4885TYK2 481/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885JAK2 90/4885TYK2 481/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885JAK2 90/4885TYK2 481/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PAK1 175/4885JAK2 90/4885TYK2 481/4885

“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.