SCHEMBL4987181

SCHEMBL4987181

CCCCN1CCN(c2ccc(NC=C3C(=O)Nc4cc(F)ccc43)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
ADRA1B P35368 3/20 0.43
HTR1A P08908 5/20 0.41
HTR7 P34969 5/20 0.41
HTR6 P50406 3/20 0.41
TGM2 P21980 1/20 0.41
ADRA1A P35348 3/20 0.39
ADRA1D P25100 2/20 0.39
PARP1 P09874 2/20 0.37
KCNH2 Q12809 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
DRD2 P14416 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
PDGFRB P09619 2/20 0.36

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
SCHEMBL4987173 1.00 PTGS2 (0.44) PTGS2ADRA1BHTR1AHTR7HTR6
SCHEMBL4996974 0.94 PTGS2 (0.44) PTGS2ADRA1BHTR1AHTR7HTR6
SCHEMBL4996968 0.94 PTGS2 (0.44) PTGS2ADRA1BHTR1AHTR7HTR6
SCHEMBL4987933 0.92 TGM2 (0.40) PTGS2ADRA1BHTR1AHTR7HTR6
SCHEMBL4987923 0.92 TGM2 (0.40) PTGS2ADRA1BHTR1AHTR7HTR6
SCHEMBL4994635 0.91 TGM2 (0.43) ADRA1BHTR1AHTR7TGM2ADRA1A
SCHEMBL4994639 0.91 TGM2 (0.43) ADRA1BHTR1AHTR7TGM2ADRA1A
SCHEMBL4988026 0.90 MEN1 (0.43) PTGS2ADRA1BHTR1AHTR7HTR6
SCHEMBL4988017 0.90 MEN1 (0.43) PTGS2ADRA1BHTR1AHTR7HTR6
SCHEMBL4992466 0.89 TGM2 (0.40) ADRA1BHTR1AHTR7HTR6TGM2

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 13 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
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP 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
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO 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 PTGS2 1351/4885ADRA1B 2408/4885HTR1A 1010/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PTGS2 1351/4885ADRA1B 2408/4885HTR1A 1010/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PTGS2 1351/4885ADRA1B 2408/4885HTR1A 1010/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PTGS2 1351/4885ADRA1B 2408/4885HTR1A 1010/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PTGS2 1351/4885ADRA1B 2408/4885HTR1A 1010/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PTGS2 1351/4885ADRA1B 2408/4885HTR1A 1010/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PTGS2 1351/4885ADRA1B 2408/4885HTR1A 1010/4885

“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.