SCHEMBL4160085

SCHEMBL4160085

Clc1ccc(CNc2cncc(-c3ccncc3)c2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.52
CLK4 Q9HAZ1 5/20 0.52
CLK2 P49760 4/20 0.52
CHEK1 O14757 1/20 0.52
ROCK2 O75116 1/20 0.52
RPS6KA5 O75582 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
PIM1 P11309 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
MAPK1 P28482 1/20 0.52
AKT1 P31749 1/20 0.52
AKT2 P31751 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
RPS6KA3 P51812 1/20 0.52
PRKX P51817 1/20 0.52
NEK4 P51957 1/20 0.52
CSNK1G2 P78368 1/20 0.52

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
SCHEMBL4146600 0.88 CCNT1 (0.43) DYRK1ACLK4CLK2CHEK1ROCK2
SCHEMBL4144178 0.86 FYN (0.46) DYRK1ACLK4CLK2CHEK1ROCK2
SCHEMBL4193176 0.86 DYRK1A (0.60) DYRK1ACLK4CLK2CHEK1ROCK2
SCHEMBL4154749 0.86 ROCK2 (0.51) DYRK1ACLK4CHEK1ROCK2MAP4K4
SCHEMBL4160318 0.82 ROCK2 (0.48) ROCK2MAPK1GSK3AGSK3BROCK1
SCHEMBL4186887 0.82 WDR5 (0.49) DYRK1ACLK4CLK2GAACYP1A2
SCHEMBL4200498 0.81 FYN (0.64) DYRK1ACLK4CLK2CHEK1ROCK2
SCHEMBL4149001 0.81 MEN1 (0.48) DYRK1ACLK4ROCK2MAP4K4PIM1
SCHEMBL4149080 0.80 AGER (0.44) KDRGAACYP1A2CYP3A4CYP2D6
SCHEMBL4928814 0.80 FYN (0.41) ROCK2MAPK1KDRGAACCNT1

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 10 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
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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 (5 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT DYRK1A 1204/4885CLK4 734/4885CLK2 429/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 DYRK1A 670/4885CLK4 53/4885CLK2 97/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 DYRK1A 670/4885CLK4 53/4885CLK2 97/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 DYRK1A 670/4885CLK4 53/4885CLK2 97/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA DYRK1A 1094/4885CLK4 2410/4885CLK2 1733/4885

“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.