SCHEMBL4199103

SCHEMBL4199103

CS(=O)(=O)c1ccc(-c2cncc(C(N)c3cccnc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 4/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LRRK2 Q5S007 1/20 0.44
FLT3 P36888 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 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
SCHEMBL18876343 0.77 PTGS2 (0.76) PTGS2PTGS1CA12CA1CA2
SCHEMBL2227777 0.72 FYN (0.70) PTGS2PTGS1CA12CA1CA2
SCHEMBL4187397 0.72 MAPK10 (0.45) LRRK2MKNK1MKNK2
SCHEMBL2494591 0.72 CFTR (0.58)
SCHEMBL4180993 0.71 PTGS2 (0.47) PTGS2PTGS1LRRK2
Hydrochloric Acid SCHEMBL3751857 0.70 CFTR (0.56)
SCHEMBL28146268 0.70 PTGS2 (0.64) PTGS2PTGS1CA12CA1CA2
SCHEMBL4199106 0.69 JAK2 (0.53) PTGS2PTGS1
SCHEMBL8487954 0.69 PTGS2 (1.00) PTGS2PTGS1CA12CA1CA2
SCHEMBL8191216 0.69 PTGS2 (0.48) PTGS2PTGS1

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 PTGS2 2589/4885PTGS1 2105/4885CA12 4377/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PTGS2 2589/4885PTGS1 2105/4885CA12 4377/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PTGS2 2589/4885PTGS1 2105/4885CA12 4377/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA PTGS2 3117/4885PTGS1 2333/4885CA12 4878/4885

“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.