SCHEMBL4994866

SCHEMBL4994866

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
NPY2R P49146 2/20 0.40
MTOR P42345 3/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RET P07949 2/20 0.39
PDGFRB P09619 2/20 0.39
IGF1R P08069 1/20 0.39
ERBB2 P04626 1/20 0.38
PIK3CD O00329 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
EGFR P00533 2/20 0.37
GRM1 Q13255 1/20 0.36
GRM4 Q14833 1/20 0.36
SERPINE1 P05121 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC9A1 P19634 1/20 0.35

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
SCHEMBL4994860 1.00 NTRK1 (0.41) NTRK1NPY2RMTORPIK3CAPIK3CG
SCHEMBL4991455 0.92 NTRK1 (0.41) NTRK1NPY2RMTORPIK3CAPIK3CG
SCHEMBL4991449 0.92 NTRK1 (0.41) NTRK1NPY2RMTORPIK3CAPIK3CG
SCHEMBL4993097 0.89 RET (0.41) NTRK1RETPDGFRBIGF1RERBB2
SCHEMBL4993101 0.89 RET (0.41) NTRK1RETPDGFRBIGF1RERBB2
SCHEMBL4987559 0.89 ALDH1A1 (0.41) NPY2RALDH1A1RETPDGFRBIGF1R
SCHEMBL4987554 0.89 ALDH1A1 (0.41) NPY2RALDH1A1RETPDGFRBIGF1R
SCHEMBL4995155 0.89 RET (0.41) NTRK1RETPDGFRBIGF1RERBB2
SCHEMBL4994093 0.87 NTRK1 (0.44) NTRK1NPY2RMTORPIK3CAPIK3CG
SCHEMBL4995545 0.87 RET (0.52) NTRK1RETPDGFRBIGF1RERBB2

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.