SCHEMBL4187560

SCHEMBL4187560

O=C(NCCO)c1cccc(-c2cncc(Nc3ccc4ccccc4c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
FYN P06241 5/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 2/20 0.44
BCR P11274 1/20 0.44
KDR P35968 1/20 0.43
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLAU P00749 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
SCHEMBL4152462 0.88 KDR (0.51) SIRT2SIRT1SIRT3MAPK8MAPK10
SCHEMBL4180458 0.88 XDH (0.51) SIRT2FYNMAP4K4ABL1BCR
SCHEMBL4183159 0.84 FYN (0.55) FYNABL1BCRMEN1ALDH1A1
SCHEMBL4187667 0.84 L3MBTL1 (0.46) FYNMAP4K4ABL1BCRKDR
SCHEMBL4199338 0.84 KDR (0.57) FYNKDREGFRMEN1ALDH1A1
SCHEMBL4182331 0.82 SIRT2 (0.71) SIRT2SIRT1SIRT3MAPK8FYN
SCHEMBL4190144 0.81 ALDH1A1 (0.47) FYNABL1BCREGFRSRC
SCHEMBL4192006 0.78 SIRT2 (0.50) SIRT2SIRT1SIRT3ABL1KDR
SCHEMBL4190056 0.78 ALOX5 (0.55) SIRT2SIRT1SIRT3MAPK8MAPK10
SCHEMBL4164292 0.76 HSD17B1 (0.54) SIRT2SIRT1SIRT3FYNALDH1A1

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 SIRT2 1199/4885SIRT1 973/4885SIRT3 543/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SIRT2 1199/4885SIRT1 973/4885SIRT3 543/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SIRT2 1199/4885SIRT1 973/4885SIRT3 543/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA SIRT2 1914/4885SIRT1 1572/4885SIRT3 584/4885

“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.