SCHEMBL4185063

SCHEMBL4185063

COc1cncc(-c2cncc(Nc3ccc(C#N)cc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.52
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
XDH P47989 2/20 0.48
SLC22A12 Q96S37 1/20 0.48
GSK3B P49841 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACP1 P24666 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
SCN9A Q15858 2/20 0.42
PRKCQ Q04759 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
LRRK2 Q5S007 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL4191925 0.86 XDH (0.61) ALPLCYP11B1CYP11B2XDHSLC22A12
SCHEMBL2139463 0.84 CYP11B2 (0.62) ALPLCYP11B1CYP11B2XDHCYP1A2
SCHEMBL4196481 0.82 ALPL (0.47) ALPLXDHSLC22A12GSK3BMEN1
SCHEMBL4195748 0.82 KCNH2 (0.52) ALPLCYP11B1CYP11B2XDHSLC22A12
SCHEMBL4187553 0.81 LRRK2 (0.43) ALPLCYP11B2XDHSLC22A12ABCG2
SCHEMBL4196858 0.77 XDH (0.50) ALPLCYP11B1CYP11B2XDHSLC22A12
SCHEMBL4201191 0.77 ALPL (0.41) ALPLGSK3BMEN1KMT2ACYP2C9
SCHEMBL4199347 0.76 TDP2 (0.58) ALPLCYP3A4CYP2C9ABCG2SCN9A
SCHEMBL5450744 0.76 GAA (0.68) GSK3BMEN1KMT2AACP1KDM4E
SCHEMBL4187483 0.75 ALPL (0.49) ALPLXDHSLC22A12

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 6 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

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 ALPL 1226/4885CYP11B1 64/4885CYP11B2 149/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ALPL 1226/4885CYP11B1 64/4885CYP11B2 149/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ALPL 1226/4885CYP11B1 64/4885CYP11B2 149/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ALPL 2140/4885CYP11B1 348/4885CYP11B2 280/4885

“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.