SCHEMBL4193397

SCHEMBL4193397

CS(=O)(=O)Nc1cccc(-c2cncc(Nc3cccc([N+](=O)[O-])c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.54
PIP4K2B P78356 2/20 0.54
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PIK3CB P42338 3/20 0.48
EGFR P00533 2/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
PRKCA P17252 1/20 0.48
ABCG2 Q9UNQ0 3/20 0.44
ABCC1 P33527 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PIK3CA P42336 1/20 0.43
TNNI3K Q59H18 1/20 0.43

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
SCHEMBL4196597 0.83 CYP1A2 (0.60) PIP4K2APIP4K2BKDM4EPIK3CBCYP1A2
SCHEMBL4183087 0.82 ABL1 (0.51) KDM4EEGFRABL1BCRSRC
SCHEMBL4187385 0.82 ABL1 (0.65) EGFRABL1BCRSRCPRKCA
SCHEMBL4187527 0.82 SMN1; SMN2 (0.66) PIP4K2APIP4K2BEGFRABL1BCR
SCHEMBL30498952 0.81 KDM4E (0.68) KDM4ETDP1MEN1KMT2A
SCHEMBL2672429 0.81 KDM4E (0.68) KDM4ETDP1MEN1KMT2A
SCHEMBL4196450 0.81 PIP4K2A (0.58) PIP4K2APIP4K2BPIK3CBABL1BCR
SCHEMBL4148401 0.81 ABL1 (0.58) KDM4EEGFRABL1BCRSRC
SCHEMBL4191762 0.79 PIP4K2A (0.59) PIP4K2APIP4K2BKDM4EPIK3CBCYP1A2
SCHEMBL4192001 0.79 ABCG2 (0.51) EGFRABL1BCRSRCPRKCA

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 PIP4K2A 748/4885PIP4K2B 633/4885KDM4E 3218/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885KDM4E 3218/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885KDM4E 3218/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA PIP4K2A 1599/4885PIP4K2B 1968/4885KDM4E 2119/4885

“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.