SCHEMBL4311501

SCHEMBL4311501

O=C1Nc2ccc(F)cc2/C1=C1\OCc2cc(CN3CCOCC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.46
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
IDO2 Q6ZQW0 2/20 0.44
PDGFRB P09619 8/20 0.43
KDR P35968 8/20 0.43
KIT P10721 6/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 3/20 0.40
FGFR1 P11362 3/20 0.40
MET P08581 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
AXL P30530 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4311506 1.00 LRRK2 (0.46) LRRK2IDO1TDO2IDO2PDGFRB
SCHEMBL4305103 0.91 LRRK2 (0.43) LRRK2PDGFRBKDRKITSMN1; SMN2
SCHEMBL4305106 0.91 LRRK2 (0.43) LRRK2PDGFRBKDRKITSMN1; SMN2
SCHEMBL4300899 0.91 KCNJ1 (0.50) LRRK2PDGFRBKDRKITFLT3
SCHEMBL4300904 0.91 KCNJ1 (0.50) LRRK2PDGFRBKDRKITFLT3
SCHEMBL4305101 0.91 KCNJ1 (0.50) LRRK2PDGFRBKDRKITFLT3
SCHEMBL4305098 0.91 KCNJ1 (0.50) LRRK2PDGFRBKDRKITFLT3
SCHEMBL6103218 0.89 PDGFRB (0.46) LRRK2PDGFRBKDRKITFLT3
SCHEMBL6103213 0.89 PDGFRB (0.46) LRRK2PDGFRBKDRKITFLT3
SCHEMBL4302869 0.88 PDGFRB (0.40) LRRK2PDGFRBKDRKCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
WO-2010099368-A1 OCULAR IMPLANTS COMPRISING KINASE INHIBITORS ALLERGAN, INC. (US) 2010-09-02 WO disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 LRRK2 848/4885IDO1 865/4885TDO2 1892/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 LRRK2 848/4885IDO1 865/4885TDO2 1892/4885
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 LRRK2 545/4885IDO1 213/4885TDO2 751/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 LRRK2 848/4885IDO1 865/4885TDO2 1892/4885

“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.