SCHEMBL6086846

SCHEMBL6086846

O=C(CN1CCOCC1)OCCNc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 8/20 0.38
MTOR P42345 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PAK1 Q13153 1/20 0.34
LRRK2 Q5S007 1/20 0.34
NTRK1 P04629 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
PARP1 P09874 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NR1I3 Q14994 1/20 0.34
FLT3 P36888 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
SCHEMBL6086841 1.00 MEN1 (0.41) MEN1POLBKMT2AMAPK14MTOR
SCHEMBL6088653 0.93 ALDH1A1 (0.38) MEN1POLBKMT2APAK1NTRK1
SCHEMBL6088655 0.93 ALDH1A1 (0.38) MEN1POLBKMT2APAK1NTRK1
SCHEMBL6086835 0.92 LMNA (0.37) MEN1KMT2AMAPK14MTORNTRK1
SCHEMBL6086825 0.92 LMNA (0.37) MEN1KMT2AMAPK14MTORNTRK1
SCHEMBL6086446 0.86 MAPK14 (0.44) MEN1KMT2AMAPK14LRRK2ADORA2A
SCHEMBL6086453 0.86 MAPK14 (0.44) MEN1KMT2AMAPK14LRRK2ADORA2A
SCHEMBL6086980 0.85 MAPK1 (0.49) MEN1POLBKMT2APARP1
SCHEMBL6086987 0.85 MAPK1 (0.49) MEN1POLBKMT2APARP1
SCHEMBL14725076 0.85 NTRK1 (0.33) PAK1LRRK2NTRK1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP disclosed
US-7060844-B2 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-06-13 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US disclosed
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2004-01-29 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 (2 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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 MEN1 3222/4885POLB 3698/4885KMT2A 1161/4885
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 MEN1 3309/4885POLB 3631/4885KMT2A 1331/4885

“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.