SCHEMBL4147232

SCHEMBL4147232

COc1ccc(Nc2cncc(-c3cccc(C(N)=O)c3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.59
SLC22A12 Q96S37 1/20 0.59
MAP4K4 O95819 1/20 0.56
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
BRAF P15056 2/20 0.51
FYN P06241 3/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ALOX5AP P20292 1/20 0.49
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
PARP1 P09874 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
PLAU P00749 2/20 0.47
PLAT P00750 2/20 0.47
PLG P00747 1/20 0.47

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
SCHEMBL4187491 0.85 XDH (0.57) XDHSLC22A12CYP11B2BRAFFYN
SCHEMBL4148171 0.84 MAP4K4 (0.52) MAP4K4CYP11B1CYP11B2FYNMKNK1
SCHEMBL4199231 0.84 XDH (0.57) XDHSLC22A12MAP4K4FYNMKNK1
SCHEMBL4184883 0.84 BRAF (0.71) CYP11B1CYP11B2BRAFFYNMKNK1
SCHEMBL2820197 0.83 ADORA3 (0.69) XDHSLC22A12BRAFFYNCYP1A2
SCHEMBL4183159 0.83 FYN (0.55) XDHSLC22A12BRAFFYNCYP1A2
SCHEMBL30834601 0.82 SIRT2 (0.63) XDHSLC22A12MAP4K4CYP11B1CYP11B2
SCHEMBL3662153 0.82 MKNK1 (0.72) MAP4K4CYP11B1CYP11B2FYNMKNK1
SCHEMBL4198997 0.82 BRAF (0.72) XDHSLC22A12BRAFFYN
SCHEMBL4182331 0.82 SIRT2 (0.71) XDHSLC22A12CYP11B1CYP11B2FYN

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 XDH 750/4885SLC22A12 4511/4885MAP4K4 75/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885MAP4K4 546/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885MAP4K4 546/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885MAP4K4 546/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA XDH 527/4885SLC22A12 2928/4885MAP4K4 600/4885

“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.