SCHEMBL5998924

SCHEMBL5998924

O=C1Nc2cc(F)ccc2C1=CNc1ccc(N2CC=CC2)c(F)c1.O=C1Nc2cc(F)ccc2C1=CNc1ccc(N2CCCC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
PDGFRB P09619 4/20 0.40
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKB Q96GD4 4/20 0.36
AURKA O14965 1/20 0.35
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
AURKC Q9UQB9 1/20 0.35
ADRA1B P35368 2/20 0.35
ERBB2 P04626 1/20 0.35
MDM2 Q00987 1/20 0.35
LRRK2 Q5S007 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 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
SCHEMBL5998921 1.00 TGM2 (0.42) TGM2PDGFRBALDH1A1SMN1; SMN2AURKB
SCHEMBL4994797 0.96 TGM2 (0.46) TGM2PDGFRBALDH1A1AURKBAURKA
SCHEMBL4994803 0.96 TGM2 (0.46) TGM2PDGFRBALDH1A1AURKBAURKA
SCHEMBL4991200 0.95 TGM2 (0.46) TGM2PDGFRBALDH1A1SMN1; SMN2AURKB
SCHEMBL4991197 0.95 TGM2 (0.46) TGM2PDGFRBALDH1A1SMN1; SMN2AURKB
SCHEMBL4993082 0.91 TGM2 (0.42) TGM2PDGFRBALDH1A1AURKBAURKA
SCHEMBL4993076 0.91 TGM2 (0.42) TGM2PDGFRBALDH1A1AURKBAURKA
SCHEMBL4995436 0.89 TGM2 (0.46) TGM2PDGFRBALDH1A1SMN1; SMN2MDM2
SCHEMBL4995430 0.89 TGM2 (0.46) TGM2PDGFRBALDH1A1SMN1; SMN2MDM2
SCHEMBL4999070 0.88 TGM2 (0.42) TGM2PDGFRBALDH1A1SMN1; SMN2AURKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 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 (1 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-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 TGM2 3215/4885PDGFRB 307/4885ALDH1A1 1651/4885

“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.