SCHEMBL4994890

SCHEMBL4994890

CC1CN(c2ccc(N/C=C3/C(=O)Nc4ccccc43)cc2C(F)(F)F)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NTRK1 P04629 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TGM2 P21980 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.36
EGFR P00533 2/20 0.35
ERBB2 P04626 1/20 0.35
IGF1R P08069 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
PDGFRB P09619 1/20 0.35
WEE1 P30291 1/20 0.34
GSK3B P49841 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
SCHEMBL4994898 1.00 MEN1 (0.38) MEN1KMT2ANTRK1ALDH1A1MAPT
SCHEMBL4994090 0.90 MEN1 (0.41) MEN1KMT2ANTRK1ALDH1A1MAPT
SCHEMBL4994086 0.90 MEN1 (0.41) MEN1KMT2ANTRK1ALDH1A1MAPT
SCHEMBL4994888 0.89 NTRK1 (0.42) MEN1KMT2ANTRK1
SCHEMBL4994891 0.89 NTRK1 (0.42) MEN1KMT2ANTRK1
SCHEMBL4995034 0.89 TGM2 (0.41) NTRK1ALDH1A1TGM2PDGFRB
SCHEMBL4995036 0.89 TGM2 (0.41) NTRK1ALDH1A1TGM2PDGFRB
SCHEMBL4999213 0.89 PDE3B (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4999206 0.89 PDE3B (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4988759 0.86 PDE3B (0.36) NTRK1MAPTLMNAKDM4EPKM

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 11 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
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 (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 MEN1 2745/4885KMT2A 958/4885NTRK1 294/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MEN1 2745/4885KMT2A 958/4885NTRK1 294/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MEN1 2745/4885KMT2A 958/4885NTRK1 294/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MEN1 2745/4885KMT2A 958/4885NTRK1 294/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MEN1 2745/4885KMT2A 958/4885NTRK1 294/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MEN1 2745/4885KMT2A 958/4885NTRK1 294/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MEN1 2745/4885KMT2A 958/4885NTRK1 294/4885

“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.