SCHEMBL4201096

SCHEMBL4201096

OCc1ccccc1-c1cncc(Nc2ccc(F)c(Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.56
XDH P47989 3/20 0.53
SLC22A12 Q96S37 3/20 0.53
TDO2 P48775 1/20 0.46
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
EGFR P00533 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4191931 0.86 XDH (0.48) TDP2XDHSLC22A12KDR
SCHEMBL4184945 0.85 XDH (0.51) XDHSLC22A12EGFRKDRFGFR2
SCHEMBL4185419 0.81 TDP2 (0.61) TDP2XDHSLC22A12MAPTTP53
SCHEMBL4194356 0.80 TDP2 (0.58) TDP2XDHSLC22A12TDO2MAPT
SCHEMBL4192330 0.79 TDP2 (0.56) TDP2XDHSLC22A12TDO2CYP1A2
SCHEMBL4194486 0.77 TDP2 (0.70) TDP2XDHSLC22A12TDO2MAPT
SCHEMBL4185259 0.76 XDH (0.67) TDP2XDHSLC22A12MAPTTP53
SCHEMBL4194098 0.76 XDH (0.64) TDP2XDHSLC22A12TDO2MAPT
SCHEMBL4185498 0.74 TDP2 (0.59) TDP2XDHSLC22A12ABCG2EGFR
SCHEMBL4189069 0.72 TDP2 (0.62) TDP2XDHSLC22A12TDO2CYP1A2

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 TDP2 1940/4885XDH 1630/4885SLC22A12 3973/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TDP2 1940/4885XDH 1630/4885SLC22A12 3973/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TDP2 1940/4885XDH 1630/4885SLC22A12 3973/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA TDP2 135/4885XDH 527/4885SLC22A12 2928/4885

“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.