SCHEMBL4996116

SCHEMBL4996116

O=C1Nc2cccc(F)c2C1=CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.48
NPC1 O15118 1/20 0.46
PDPK1 O15530 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41
KDR P35968 3/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
CES1 P23141 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL4996113 1.00 TGM2 (0.48) TGM2NPC1PDPK1ALDH1A1MAPT
SCHEMBL4861892 0.79 KDR (0.60) TGM2PDPK1ALDH1A1MAPTLMNA
SCHEMBL4861881 0.79 KDR (0.60) TGM2PDPK1ALDH1A1MAPTLMNA
SCHEMBL4242823 0.76 CES1 (0.60) TGM2NPC1MAPTPDGFRACES1
SCHEMBL8507972 0.74 LRRK2 (0.50) NPC1SMN1; SMN2KDRPDGFRBPDGFRA
SCHEMBL3909749 0.71 MAPT (0.69) TGM2NPC1PDPK1ALDH1A1MAPT
SCHEMBL3576657 0.71 MAPT (0.69) TGM2NPC1PDPK1ALDH1A1MAPT
SCHEMBL13716108 0.68 MAOA (0.62) TGM2ALDH1A1MAPTLMNAHTT
SCHEMBL10391131 0.66 CYP1A2 (0.51) TGM2NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4855366 0.66 TGM2 (0.72) TGM2KDRPDGFRBPDGFRA

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 TGM2 3215/4885NPC1 4010/4885PDPK1 30/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NPC1 4010/4885PDPK1 30/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NPC1 4010/4885PDPK1 30/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NPC1 4010/4885PDPK1 30/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NPC1 4010/4885PDPK1 30/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NPC1 4010/4885PDPK1 30/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885NPC1 4010/4885PDPK1 30/4885

“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.