SCHEMBL4199333

SCHEMBL4199333

OCc1cccc(-c2cncc(Nc3ccccc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.53
SLC22A12 Q96S37 7/20 0.53
PRKCI P41743 1/20 0.50
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.47
CDK8 P49336 1/20 0.46
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
FYN P06241 1/20 0.44
BRAF P15056 1/20 0.44
PDPK1 O15530 1/20 0.43
MAP4K4 O95819 1/20 0.42
FDPS P14324 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
SCHEMBL4191653 0.88 XDH (0.53) XDHSLC22A12PRKCIKDRCDK8
SCHEMBL4192006 0.85 SIRT2 (0.50) XDHSLC22A12PRKCIFLT1FLT4
SCHEMBL4196393 0.84 CYP11B1 (0.47) XDHSLC22A12PRKCIABCG2CDK8
SCHEMBL4187626 0.81 ABL1 (0.47) PRKCIBRAF
SCHEMBL4192415 0.81 XDH (0.59) XDHSLC22A12FYNBRAFFDPS
SCHEMBL4194358 0.81 XDH (0.60) XDHSLC22A12FYNBRAFFDPS
SCHEMBL4194356 0.80 TDP2 (0.58) XDHSLC22A12PRKCIKDRCDK8
Hydrochloric Acid SCHEMBL5303052 0.79 TOP2A (0.44) XDHSLC22A12FLT1FLT4KDR
SCHEMBL2841435 0.78 MEN1 (0.56) XDHSLC22A12FYNBRAFPDPK1
SCHEMBL21915556 0.78 FDPS (0.56) XDHSLC22A12FYNBRAFFDPS

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 XDH 1630/4885SLC22A12 3973/4885PRKCI 1218/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885PRKCI 1218/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885PRKCI 1218/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA XDH 527/4885SLC22A12 2928/4885PRKCI 4306/4885

“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.