SCHEMBL4995472

SCHEMBL4995472

CC(C)N(CCNc1ccc(NC=C2C(=O)Nc3ccccc32)cc1C(F)(F)F)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NTRK1 P04629 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
TGM2 P21980 1/20 0.35
HTT P42858 1/20 0.35
IDO1 P14902 1/20 0.35
ERBB2 P04626 4/20 0.34
EGFR P00533 3/20 0.34
IGF1R P08069 3/20 0.34
PDGFRB P09619 3/20 0.34
GLB1 P16278 1/20 0.34
CTRC Q99895 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
PTGES O14684 1/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL4995468 1.00 ALK (0.38) ALKSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL4995245 0.90 SMN1; SMN2 (0.40) ALKSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL4995250 0.90 SMN1; SMN2 (0.40) ALKSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL4999577 0.90 TGM2 (0.40) NTRK1TGM2PDGFRB
SCHEMBL4999581 0.90 TGM2 (0.40) NTRK1TGM2PDGFRB
SCHEMBL4999185 0.88 KDR (0.42) ALKSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL4999193 0.88 KDR (0.42) ALKSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL4995507 0.88 ALK (0.41) ALKSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL4995498 0.88 ALK (0.41) ALKSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL4994995 0.87 ALK (0.40) ALKSMN1; SMN2NTRK1ALDH1A1MAPT

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 ALK 244/4885SMN1; SMN2 4396/4885NTRK1 294/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALK 244/4885SMN1; SMN2 4396/4885NTRK1 294/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALK 244/4885SMN1; SMN2 4396/4885NTRK1 294/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALK 244/4885SMN1; SMN2 4396/4885NTRK1 294/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALK 244/4885SMN1; SMN2 4396/4885NTRK1 294/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALK 244/4885SMN1; SMN2 4396/4885NTRK1 294/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALK 244/4885SMN1; SMN2 4396/4885NTRK1 294/4885

“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.