SCHEMBL4993601

SCHEMBL4993601

CCCC1CCN(c2ccc(NC=C3C(=O)Nc4cccc(F)c43)cc2C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.37
NTRK1 P04629 2/20 0.36
CYP2C9 P11712 1/20 0.33
KIT P10721 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
EML4 Q9HC35 3/20 0.32
ALK Q9UM73 3/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM4 Q14833 1/20 0.32
EGFR P00533 1/20 0.31
PDGFRA P16234 1/20 0.31

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
SCHEMBL4993595 1.00 SERPINE1 (0.37) SERPINE1NTRK1CYP2C9KITTRPV1
SCHEMBL4996458 0.92 NPY2R (0.34) TRPV1PDGFRBKDREGFRPDGFRA
SCHEMBL4996464 0.92 NPY2R (0.34) TRPV1PDGFRBKDREGFRPDGFRA
SCHEMBL4998801 0.91 CYP2C9 (0.39) SERPINE1NTRK1CYP2C9TRPV1GRM1
SCHEMBL4998806 0.91 CYP2C9 (0.39) SERPINE1NTRK1CYP2C9TRPV1GRM1
SCHEMBL4993980 0.90 PDGFRB (0.36) TRPV1PDGFRBKDREGFRPDGFRA
SCHEMBL4993982 0.90 PDGFRB (0.36) TRPV1PDGFRBKDREGFRPDGFRA
SCHEMBL4994120 0.87 CHRM1 (0.40) SERPINE1NTRK1KDRPDGFRA
SCHEMBL4994126 0.87 CHRM1 (0.40) SERPINE1NTRK1KDRPDGFRA
SCHEMBL4995244 0.86 NTRK1 (0.46) NTRK1

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 SERPINE1 3677/4885NTRK1 294/4885CYP2C9 4666/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SERPINE1 3677/4885NTRK1 294/4885CYP2C9 4666/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SERPINE1 3677/4885NTRK1 294/4885CYP2C9 4666/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SERPINE1 3677/4885NTRK1 294/4885CYP2C9 4666/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SERPINE1 3677/4885NTRK1 294/4885CYP2C9 4666/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SERPINE1 3677/4885NTRK1 294/4885CYP2C9 4666/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SERPINE1 3677/4885NTRK1 294/4885CYP2C9 4666/4885

“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.