SCHEMBL6087089

SCHEMBL6087089

C[C@@H]1CN(CCNc2ccc3c(c2)CO/C3=C2/C(=O)Nc3ccc(F)cc32)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 0.40
KDR P35968 11/20 0.40
KIT P10721 9/20 0.40
MAPK14 Q16539 3/20 0.39
NAMPT P43490 1/20 0.39
TOP1 P11387 2/20 0.36
FGFR1 P11362 2/20 0.35
TLK2 Q86UE8 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
FLT3 P36888 2/20 0.33
RET P07949 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33

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
SCHEMBL6087093 1.00 PDGFRB (0.40) PDGFRBKDRKITMAPK14NAMPT
SCHEMBL14715793 0.94 MAPK14 (0.40) PDGFRBKDRKITMAPK14NAMPT
SCHEMBL6087855 0.94 MAPK14 (0.40) PDGFRBKDRKITMAPK14NAMPT
SCHEMBL6087853 0.94 MAPK14 (0.40) PDGFRBKDRKITMAPK14NAMPT
SCHEMBL14725070 0.90 ALDH1A1 (0.37) MAPK14NAMPTTOP1TP53ALOX15
SCHEMBL6087240 0.90 ALDH1A1 (0.37) MAPK14NAMPTTOP1TP53ALOX15
SCHEMBL6087243 0.90 ALDH1A1 (0.37) MAPK14NAMPTTOP1TP53ALOX15
SCHEMBL6087516 0.89 PDGFRB (0.44) PDGFRBKDRKITMAPK14TOP1
SCHEMBL6087512 0.89 PDGFRB (0.44) PDGFRBKDRKITMAPK14TOP1
SCHEMBL4301915 0.86 KCNJ1 (0.43) TOP1

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 9 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
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 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
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 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
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 PDGFRB 502/4885KDR 320/4885KIT 683/4885
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 PDGFRB 490/4885KDR 320/4885KIT 707/4885

“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.