SCHEMBL2200306

SCHEMBL2200306

O=C1Nc2ccccc2/C1=C1\OC(c2ccccc2)c2c(Br)cncc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C1 P04150 3/20 0.33
PGR P06401 3/20 0.33
AR P10275 3/20 0.33
LRRK2 Q5S007 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDGFRA P16234 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
SCHEMBL2200309 1.00 IDO1 (0.34) IDO1TDO2MAPTMAPK1HTT
SCHEMBL2200047 0.80 MAPT (0.33) MAPTMAPK1HTTMEN1TSHR
SCHEMBL2200045 0.80 MAPT (0.33) MAPTMAPK1HTTMEN1TSHR
SCHEMBL12510722 0.80 MAPT (0.35) MAPTMAPK1HTTMEN1TSHR
SCHEMBL2201620 0.77 ALDH1A1 (0.47) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL12510721 0.73 PDGFRB (0.38) MAPTMAPK1HTTMEN1TSHR
SCHEMBL2199340 0.72 PDGFRB (0.38) MAPTMAPK1MEN1TSHRKMT2A
SCHEMBL2199335 0.72 PDGFRB (0.38) MAPTMAPK1MEN1TSHRKMT2A
SCHEMBL12225714 0.70 KCNJ5 (0.34) MAPTMAPK1HTTMEN1TSHR
SCHEMBL6087485 0.65 LRRK2 (0.42) IDO1TDO2MAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 IDO1 623/4885TDO2 1107/4885MAPT 4415/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 IDO1 623/4885TDO2 1107/4885MAPT 4415/4885

“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.