SCHEMBL4154769

SCHEMBL4154769

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
SYK P43405 3/20 0.47
KDR P35968 2/20 0.47
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 3/20 0.46
SIRT3 Q9NTG7 2/20 0.46
CCNT1 O60563 1/20 0.45
CCND1 P24385 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK6 Q00534 1/20 0.45
XDH P47989 3/20 0.45
SLC22A12 Q96S37 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45

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 0.87 XDH (0.57) SYKKDRSIRT2SIRT1SIRT3
SCHEMBL4164153 0.86 PARP1 (0.49) PARP1SYKKDRSIRT2SIRT1
SCHEMBL4191929 0.85 XDH (0.61) PARP1SYKKDRSIRT2SIRT1
SCHEMBL4187667 0.82 L3MBTL1 (0.46) KDRXDHSLC22A12NPC1FYN
SCHEMBL4182331 0.82 SIRT2 (0.71) SYKKDRSIRT2SIRT1SIRT3
SCHEMBL4199231 0.81 XDH (0.57) PARP1SYKKDRSIRT2SIRT1
SCHEMBL4194432 0.81 TSHR (0.54) SYKMEN1NPC1KMT2AABL1
SCHEMBL4191642 0.79 XDH (0.61) SYKKDRSIRT2SIRT1SIRT3
SCHEMBL4199153 0.79 ABL1 (0.48) PARP1SYKKDRSIRT2SIRT1
SCHEMBL4147232 0.79 XDH (0.59) PARP1KDRSIRT2SIRT1SIRT3

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 PARP1 1375/4885SYK 441/4885KDR 655/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 PARP1 1519/4885SYK 1941/4885KDR 4228/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PARP1 1519/4885SYK 1941/4885KDR 4228/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PARP1 1519/4885SYK 1941/4885KDR 4228/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA PARP1 428/4885SYK 3754/4885KDR 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.