SCHEMBL4187667

SCHEMBL4187667

O=C(NCCO)c1cccc(-c2cncc(Nc3cccc(Br)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
FYN P06241 8/20 0.45
KDR P35968 1/20 0.43
MAP4K4 O95819 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 3/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
BCR P11274 2/20 0.41
LMNA P02545 1/20 0.41
TP53BP1 Q12888 1/20 0.41
XDH P47989 2/20 0.41
SLC22A12 Q96S37 2/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL4180458 0.89 XDH (0.51) FYNKDRMAP4K4ABL1BCR
SCHEMBL4199338 0.87 KDR (0.57) FYNKDREGFRXDHSLC22A12
SCHEMBL4187560 0.84 SIRT2 (0.51) FYNKDRMAP4K4NPC1RAB9A
SCHEMBL4190144 0.84 ALDH1A1 (0.47) L3MBTL1FYNABL1EGFRSRC
SCHEMBL4154769 0.82 PARP1 (0.50) FYNKDRNPC1ABL1EGFR
SCHEMBL4183159 0.81 FYN (0.55) FYNABL1BCRXDHSLC22A12
SCHEMBL4778358 0.76 KDM4E (0.58) EGFR
SCHEMBL1663227 0.76 L3MBTL1 (0.76) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL4188883 0.75 HDAC2 (0.50) NPC1RAB9ALMNA
SCHEMBL4153750 0.75 FYN (0.53) FYNKDRMAP4K4

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
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US claimed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP claimed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 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 (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-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 L3MBTL1 2877/4885FYN 3292/4885KDR 4228/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 L3MBTL1 2877/4885FYN 3292/4885KDR 4228/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 L3MBTL1 2877/4885FYN 3292/4885KDR 4228/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA L3MBTL1 2937/4885FYN 173/4885KDR 3935/4885

“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.