SCHEMBL6086453

SCHEMBL6086453

O=C1Nc2ccccc2C1=C1OCc2cc(NCCN3CCOCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APAF1 O14727 1/20 0.41
NSD2 O96028 1/20 0.41
CYP1A2 P05177 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RAD52 P43351 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL6086446 1.00 MAPK14 (0.44) MAPK14ADORA2AADORA1MALT1MEN1
SCHEMBL6087346 0.93 MAPK14 (0.47) MAPK14ADORA2AADORA1MALT1MEN1
SCHEMBL6086555 0.93 PIM1 (0.38) MAPK14ADORA2AADORA1APAF1NSD2
SCHEMBL6086558 0.93 PIM1 (0.38) MAPK14ADORA2AADORA1APAF1NSD2
SCHEMBL6087648 0.92 MAPK14 (0.38) MAPK14ADORA2AADORA1MALT1MEN1
SCHEMBL6087641 0.92 MAPK14 (0.38) MAPK14ADORA2AADORA1MALT1MEN1
SCHEMBL6086159 0.92 PDGFRB (0.39) MAPK14ADORA2AADORA1MEN1KMT2A
SCHEMBL6087049 0.92 APAF1 (0.39) MAPK14ADORA2AADORA1APAF1NSD2
SCHEMBL6087054 0.92 APAF1 (0.39) MAPK14ADORA2AADORA1APAF1NSD2
SCHEMBL6086166 0.92 PDGFRB (0.39) MAPK14ADORA2AADORA1MEN1KMT2A

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 8 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 claimed
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 claimed
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
EP-1490356-A1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-12-29 EP 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
WO-2003084951-A1 (3Z) -3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-10-16 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 (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 MAPK14 186/4885ADORA2A 2387/4885ADORA1 3637/4885
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 MAPK14 191/4885ADORA2A 2434/4885ADORA1 3745/4885

“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.