SCHEMBL4991455

SCHEMBL4991455

CC(=O)N1CCN(c2ccc(NC=C3C(=O)Nc4cccc(F)c43)cc2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
NPY2R P49146 2/20 0.40
MTOR P42345 3/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CD O00329 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
EGFR P00533 2/20 0.37
SERPINE1 P05121 4/20 0.36
GRM1 Q13255 1/20 0.35
GRM4 Q14833 1/20 0.35
AURKB Q96GD4 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
SCHEMBL4991449 1.00 NTRK1 (0.41) NTRK1NPY2RMTORPIK3CAPIK3CG
SCHEMBL4994860 0.92 NTRK1 (0.41) NTRK1NPY2RMTORPIK3CAPIK3CG
SCHEMBL4994866 0.92 NTRK1 (0.41) NTRK1NPY2RMTORPIK3CAPIK3CG
SCHEMBL4994407 0.90 SYK (0.41) NPY2RLMNAMAPTGAA
SCHEMBL4994411 0.90 SYK (0.41) NPY2RLMNAMAPTGAA
SCHEMBL4995244 0.90 NTRK1 (0.46) NTRK1MTOR
SCHEMBL4995247 0.90 NTRK1 (0.46) NTRK1MTOR
SCHEMBL4995773 0.88 NTRK1 (0.39) NTRK1SERPINE1AURKB
SCHEMBL4999176 0.88 NTRK1 (0.39) NTRK1SERPINE1AURKB
SCHEMBL4994120 0.87 CHRM1 (0.40) NTRK1NPY2RMAPTSERPINE1

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 NTRK1 294/4885NPY2R 2595/4885MTOR 229/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885NPY2R 2595/4885MTOR 229/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885NPY2R 2595/4885MTOR 229/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885NPY2R 2595/4885MTOR 229/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885NPY2R 2595/4885MTOR 229/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885NPY2R 2595/4885MTOR 229/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885NPY2R 2595/4885MTOR 229/4885

“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.