SCHEMBL4987128

SCHEMBL4987128

CCC(COC)Nc1ccc(NC=C2C(=O)Nc3ccc(F)cc32)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.41
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CCNE2 O96020 1/20 0.37
FLT3 P36888 9/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK3 Q16288 1/20 0.35
KDR P35968 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MDM2 Q00987 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
SCHEMBL4995324 0.93 TGM2 (0.39) NTRK1CCNE1CDK2CCNE2FLT3
SCHEMBL4990583 0.90 ERBB2 (0.36) PDE3BPDE3AMDM2
SCHEMBL4993029 0.90 CCNE1 (0.39) NTRK1CCNE1CDK2CCNE2FLT3
SCHEMBL4993026 0.90 CCNE1 (0.39) NTRK1CCNE1CDK2CCNE2FLT3
SCHEMBL4995121 0.89 MEN1 (0.41) NTRK1CCNE1CDK2CCNE2FLT3
SCHEMBL4985021 0.84 NTRK1 (0.45) NTRK1CCNE1CDK2CCNE2FLT3
SCHEMBL4985025 0.84 NTRK1 (0.45) NTRK1CCNE1CDK2CCNE2FLT3
SCHEMBL4996705 0.84 PDE3B (0.32) NTRK1KDRPDE3BPDE3A
SCHEMBL4992197 0.83 TGM2 (0.41) NTRK1CCNE1CDK2CCNE2FLT3
SCHEMBL4992195 0.83 TGM2 (0.41) NTRK1CCNE1CDK2CCNE2FLT3

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-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-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 (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-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNE1 474/4885CDK2 3/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNE1 474/4885CDK2 3/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNE1 474/4885CDK2 3/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNE1 474/4885CDK2 3/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NTRK1 294/4885CCNE1 474/4885CDK2 3/4885

“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.