SCHEMBL4186887

SCHEMBL4186887

COc1cncc(-c2cncc(NCc3ccc(Cl)c(Cl)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.49
DYRK1A Q13627 7/20 0.49
CLK1 P49759 6/20 0.49
CLK4 Q9HAZ1 5/20 0.49
CLK2 P49760 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
BACE1 P56817 1/20 0.46
PDE4B Q07343 1/20 0.44
FYN P06241 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B1 P15538 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
SCHEMBL4196517 0.87 DYRK1A (0.54) DYRK1ACLK1CLK4CLK2DYRK1B
SCHEMBL4182323 0.82 CLK1 (0.54) DYRK1ACLK1BACE1PDE4BFYN
SCHEMBL4154792 0.82 CYP11B1 (0.50) DYRK1ACLK1BACE1PDE4BFYN
SCHEMBL4160085 0.82 DYRK1A (0.52) DYRK1ACLK1CLK4CLK2DYRK1B
SCHEMBL4193176 0.80 DYRK1A (0.60) WDR5DYRK1ACLK4CLK2BACE1
SCHEMBL4144178 0.80 FYN (0.46) DYRK1ACLK1CLK4CLK2DYRK1B
SCHEMBL4154773 0.79 FYN (0.55) DYRK1ACLK1CLK4BACE1PDE4B
SCHEMBL4190213 0.79 BACE1 (0.55) DYRK1ACLK1CLK4BACE1PDE4B
SCHEMBL4187702 0.78 FYN (0.62) DYRK1ACLK1CLK4CLK2BACE1
SCHEMBL4200498 0.77 FYN (0.64) DYRK1ACLK1CLK4CLK2PDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US 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 WDR5 2311/4885DYRK1A 670/4885CLK1 66/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 WDR5 2311/4885DYRK1A 670/4885CLK1 66/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 WDR5 2311/4885DYRK1A 670/4885CLK1 66/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA WDR5 4236/4885DYRK1A 1094/4885CLK1 2529/4885

“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.