SCHEMBL3941571

SCHEMBL3941571

CC(=O)c1cccc(-c2cccc3[nH]c4ncc(Cl)cc4c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.48
MAP4K4 O95819 2/20 0.48
CSNK1G2 P78368 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
MAP4K5 Q9Y4K4 2/20 0.48
KDR P35968 2/20 0.48
PLK4 O00444 1/20 0.48
DCLK1 O15075 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48
INSR P06213 1/20 0.48
CDK1 P06493 1/20 0.48
FES P07332 1/20 0.48
ROS1 P08922 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
FER P16591 1/20 0.48

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
SCHEMBL4423156 0.80 CHEK1 (0.44) CLK2MAP2JAK2NUDT1GRIN2D
SCHEMBL14293155 0.79 AXL (0.47) KDRCDK8CDK5DYRK1BMAP2
SCHEMBL4421190 0.78 AURKA (0.44) AURKBMAP4K5KDRPLK4PDGFRB
SCHEMBL4423151 0.76 KIT (0.50)
SCHEMBL4414511 0.76 MAPK14 (0.44) MAP4K4CLK4KDRPRKD3PAK4
SCHEMBL675229 0.74 ERBB2 (0.53) MAP2ERBB2PTK6
SCHEMBL3949517 0.72 IMPDH2 (0.49) MAP2ERBB2PTK6JAK2GRIN2D
SCHEMBL30731295 0.71 JAK2 (0.61) AURKBMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL24196046 0.68 ASH1L (0.65) AURKBMAP4K4CSNK1G2CLK4MKNK2
SCHEMBL4200273 0.67 KAT6A (0.53) MAP4K4CSNK1G2CLK4MKNK2MAP4K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2049535-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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 (1 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 AURKB 2321/4885MAP4K4 1528/4885CSNK1G2 741/4885

“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.