SCHEMBL4995744

SCHEMBL4995744

CCN(CC)CCCNc1ccc(N/C=C2\C(=O)Nc3ccc(F)cc32)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.50
PRKAA1 Q13131 5/20 0.50
PRKAA2 P54646 4/20 0.50
FLT3 P36888 6/20 0.46
PDGFRB P09619 8/20 0.46
KIT P10721 6/20 0.46
NTRK1 P04629 4/20 0.46
CSF1R P07333 3/20 0.46
RET P07949 3/20 0.46
FLT4 P35916 3/20 0.46
PLK4 O00444 2/20 0.46
DCLK1 O15075 2/20 0.46
PDPK1 O15530 2/20 0.46
DAPK3 O43293 2/20 0.46
ROCK2 O75116 2/20 0.46
RPS6KA5 O75582 2/20 0.46
RPS6KA4 O75676 2/20 0.46
MAP4K4 O95819 2/20 0.46
CHEK2 O96017 2/20 0.46
INSR P06213 2/20 0.46

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
SCHEMBL4995752 1.00 KDR (0.50) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4994967 0.94 KDR (0.49) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4994974 0.94 KDR (0.49) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4991835 0.93 KDR (0.46) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4991843 0.93 KDR (0.46) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4995809 0.92 KDR (0.51) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4995814 0.92 KDR (0.51) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4995429 0.91 KDR (0.54) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4995422 0.91 KDR (0.54) KDRPRKAA1PRKAA2FLT3PDGFRB
SCHEMBL4991944 0.90 KDR (0.41) KDRPRKAA1PRKAA2FLT3PDGFRB

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-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-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 (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-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KDR 256/4885PRKAA1 402/4885PRKAA2 427/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KDR 256/4885PRKAA1 402/4885PRKAA2 427/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KDR 256/4885PRKAA1 402/4885PRKAA2 427/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KDR 256/4885PRKAA1 402/4885PRKAA2 427/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KDR 256/4885PRKAA1 402/4885PRKAA2 427/4885

“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.