SCHEMBL4192006

SCHEMBL4192006

OCc1cccc(-c2cncc(Nc3ccc4ccccc4c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
PRKCI P41743 1/20 0.44
CDK8 P49336 1/20 0.44
ABCG2 Q9UNQ0 3/20 0.43
ABL1 P00519 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDPK1 O15530 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
PIK3CB P42338 1/20 0.41
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40

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
SCHEMBL4199333 0.85 XDH (0.53) PRKCICDK8ABCG2PDPK1FLT1
SCHEMBL4164292 0.83 HSD17B1 (0.54) SIRT2SIRT1SIRT3CYP11B1CYP11B2
SCHEMBL4191653 0.82 XDH (0.53) PRKCICDK8KDRXDHSLC22A12
SCHEMBL4194356 0.80 TDP2 (0.58) PRKCICDK8CYP11B1CYP11B2ALDH1A1
SCHEMBL4196393 0.79 CYP11B1 (0.47) PRKCICDK8ABCG2CYP11B1CYP11B2
SCHEMBL4187626 0.79 ABL1 (0.47) PRKCIABL1CYP11B1CYP11B2
SCHEMBL4194542 0.78 BRAF (0.62) SIRT2SIRT1SIRT3
SCHEMBL4182331 0.78 SIRT2 (0.71) SIRT2SIRT1SIRT3CDK8ABL1
SCHEMBL4187560 0.78 SIRT2 (0.51) SIRT2SIRT1SIRT3ABL1ALDH1A1
SCHEMBL4191762 0.76 PIP4K2A (0.59) SIRT2SIRT1SIRT3ALDH1A1CYP3A4

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.