SCHEMBL4999380

SCHEMBL4999380

CC(=O)N1CCN(c2ccc(NC=C3C(=O)Nc4cc(F)ccc43)cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.47
NTRK1 P04629 2/20 0.44
NPY2R P49146 1/20 0.39
MTOR P42345 3/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CD O00329 1/20 0.38
AURKB Q96GD4 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
JAK3 P52333 2/20 0.36
CSF1R P07333 2/20 0.36
S1PR1 P21453 1/20 0.36
EGFR P00533 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
SCHEMBL4999377 1.00 TGM2 (0.47) TGM2NTRK1NPY2RMTORPIK3CA
SCHEMBL4993473 0.93 NTRK1 (0.41) TGM2NTRK1NPY2RMTORPIK3CA
SCHEMBL4993466 0.93 NTRK1 (0.41) TGM2NTRK1NPY2RMTORPIK3CA
SCHEMBL6106805 0.90 NTRK1 (0.39) TGM2NTRK1MTORPIK3CAPIK3CG
SCHEMBL6106811 0.90 NTRK1 (0.39) TGM2NTRK1MTORPIK3CAPIK3CG
SCHEMBL4994093 0.90 NTRK1 (0.44) TGM2NTRK1NPY2RMTORPIK3CA
SCHEMBL4994085 0.90 NTRK1 (0.44) TGM2NTRK1NPY2RMTORPIK3CA
SCHEMBL4999545 0.89 NTRK1 (0.50) TGM2NTRK1MTORCSF1R
SCHEMBL4999547 0.89 NTRK1 (0.50) TGM2NTRK1MTORCSF1R
SCHEMBL4987776 0.88 TGM2 (0.42) TGM2NTRK1AURKBCSF1RS1PR1

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 8 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-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
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 (5 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 TGM2 3215/4885NTRK1 294/4885NPY2R 2595/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NTRK1 294/4885NPY2R 2595/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NTRK1 294/4885NPY2R 2595/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NTRK1 294/4885NPY2R 2595/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NTRK1 294/4885NPY2R 2595/4885

“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.