SCHEMBL4187702

SCHEMBL4187702

COc1cncc(-c2cncc(NCc3ccoc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.62
DYRK1A Q13627 5/20 0.47
CLK1 P49759 4/20 0.47
CLK4 Q9HAZ1 1/20 0.46
ALPL P05186 3/20 0.45
BACE1 P56817 1/20 0.43
KCNH2 Q12809 1/20 0.43
BRAF P15056 1/20 0.43
HPGD P15428 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
CYP11B2 P19099 1/20 0.42
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
PDE4B Q07343 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL4187573 0.84 FYN (0.61) FYNDYRK1ACLK4ALPLKCNH2
SCHEMBL4192291 0.83 FYN (0.57) FYNDYRK1ACLK4ALPLKCNH2
SCHEMBL4139536 0.82 FYN (0.67) FYNDYRK1ACLK4KCNH2BRAF
SCHEMBL4147320 0.80 FYN (0.76) FYNDYRK1ACLK1CLK4KCNH2
SCHEMBL4196517 0.80 DYRK1A (0.54) FYNDYRK1ACLK1CLK4BACE1
SCHEMBL4194118 0.80 FYN (0.72) FYNDYRK1ACLK1CLK4BACE1
SCHEMBL4192123 0.79 FYN (0.67) FYNDYRK1ACLK1CLK4KCNH2
SCHEMBL4190213 0.79 BACE1 (0.55) DYRK1ACLK1CLK4BACE1KCNH2
SCHEMBL4199443 0.78 FYN (0.51) FYNDYRK1ACLK1CLK4ALPL
SCHEMBL4154792 0.78 CYP11B1 (0.50) FYNDYRK1ACLK1BACE1KCNH2

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885DYRK1A 670/4885CLK1 66/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885DYRK1A 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.