SCHEMBL4156327

SCHEMBL4156327

NC(=O)c1cccc(-c2cncc(NCc3ccc(F)c(F)c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.50
VNN1 O95497 3/20 0.46
FYN P06241 2/20 0.45
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44
BRAF P15056 1/20 0.43
HDAC1 Q13547 2/20 0.43
PPARA Q07869 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RET P07949 1/20 0.42
CDK7 P50613 2/20 0.41
CCNT1 O60563 1/20 0.41
CCND1 P24385 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK6 Q00534 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
SCHEMBL4140370 0.91 CLK1 (0.48) CLK1VNN1FYNAURKARPS6KB1
SCHEMBL4153724 0.87 MAP4K4 (0.49) CLK1VNN1FYNAURKARPS6KB1
SCHEMBL4155314 0.86 VNN1 (0.55) CLK1VNN1FYNAURKARPS6KB1
SCHEMBL4155055 0.85 FYN (0.53) CLK1VNN1FYNAURKARPS6KB1
SCHEMBL4155753 0.85 S1PR1 (0.46) CLK1VNN1FYNAURKARPS6KB1
SCHEMBL4143243 0.84 FYN (0.57) CLK1VNN1FYNAURKARPS6KB1
SCHEMBL4140030 0.83 FYN (0.53) CLK1VNN1FYNAURKARPS6KB1
SCHEMBL4191971 0.83 HDAC1 (0.47) CLK1FYNBRAFHDAC1
SCHEMBL4189096 0.83 FYN (0.64) CLK1FYNBRAFHDAC1PPARA
SCHEMBL4185440 0.83 BRAF (0.60) FYNBRAFRETCHEK1FGFR1

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 10 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
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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 (5 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT CLK1 567/4885VNN1 4724/4885FYN 114/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 CLK1 66/4885VNN1 699/4885FYN 3292/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CLK1 66/4885VNN1 699/4885FYN 3292/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CLK1 66/4885VNN1 699/4885FYN 3292/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA CLK1 2529/4885VNN1 85/4885FYN 173/4885

“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.