SCHEMBL4196393

SCHEMBL4196393

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
CHEK1 O14757 1/20 0.44
PRKCI P41743 1/20 0.43
ABCG2 Q9UNQ0 10/20 0.41
ABCB1 P08183 7/20 0.41
ABCC1 P33527 3/20 0.41
CDK8 P49336 1/20 0.41
XDH P47989 2/20 0.40
SLC22A12 Q96S37 2/20 0.40
MAP4K4 O95819 1/20 0.38

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
SCHEMBL4199333 0.84 XDH (0.53) PRKCIABCG2CDK8XDHSLC22A12
SCHEMBL4183096 0.84 ABCG2 (0.52) CYP11B1CYP11B2ABCG2ABCB1ABCC1
SCHEMBL4191653 0.84 XDH (0.53) PRKCICDK8XDHSLC22A12MAP4K4
SCHEMBL4192006 0.79 SIRT2 (0.50) CYP11B1CYP11B2PRKCIABCG2CDK8
SCHEMBL4199153 0.79 ABL1 (0.48) CYP11B2CHEK1ABCG2ABCB1CDK8
SCHEMBL4191838 0.79 BRAF (0.61) CYP11B1CYP11B2CHEK1ABCG2XDH
SCHEMBL4187626 0.78 ABL1 (0.47) CYP11B1CYP11B2PRKCI
SCHEMBL4187553 0.77 LRRK2 (0.43) CYP11B2ABCG2ABCB1XDHSLC22A12
SCHEMBL16675765 0.77 PRKCI (0.56) CYP11B1CYP11B2CHEK1PRKCI
SCHEMBL4194464 0.76 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 CYP11B1 64/4885CYP11B2 149/4885CHEK1 174/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP11B1 64/4885CYP11B2 149/4885CHEK1 174/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP11B1 64/4885CYP11B2 149/4885CHEK1 174/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA CYP11B1 348/4885CYP11B2 280/4885CHEK1 1773/4885

“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.