SCHEMBL4183096

SCHEMBL4183096

N#Cc1ccc(Nc2cncc(-c3cccc(O)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.52
ABCB1 P08183 5/20 0.52
ABCC1 P33527 2/20 0.52
FYN P06241 1/20 0.46
XDH P47989 5/20 0.44
SLC22A12 Q96S37 5/20 0.44
CYP11B2 P19099 2/20 0.44
CYP11B1 P15538 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ABL1 P00519 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
SCHEMBL21311941 0.86 FYN (0.52) FYNXDHSLC22A12HSD17B1HSD17B2
SCHEMBL4196393 0.84 CYP11B1 (0.47) ABCG2ABCB1ABCC1XDHSLC22A12
SCHEMBL4194358 0.83 XDH (0.60) FYNXDHSLC22A12ADORA2AADORA1
SCHEMBL4154890 0.82 XDH (0.60) FYNXDHSLC22A12
SCHEMBL4199153 0.82 ABL1 (0.48) ABCG2ABCB1FYNXDHSLC22A12
SCHEMBL4191838 0.82 BRAF (0.61) ABCG2FYNXDHSLC22A12CYP11B2
SCHEMBL21311940 0.82 FYN (0.53) ABCG2FYNXDHSLC22A12HSD17B1
SCHEMBL4187553 0.80 LRRK2 (0.43) ABCG2ABCB1XDHSLC22A12CYP11B2
SCHEMBL31418214 0.80 CYP11B1 (0.53) CYP11B2CYP11B1HSD17B1HSD17B2ABL1
SCHEMBL4194464 0.79 PIP4K2A (0.55) SLC22A12

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 ABCG2 1286/4885ABCB1 374/4885ABCC1 2201/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ABCG2 1286/4885ABCB1 374/4885ABCC1 2201/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ABCG2 1286/4885ABCB1 374/4885ABCC1 2201/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ABCG2 1804/4885ABCB1 1239/4885ABCC1 2787/4885

“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.