SCHEMBL4057210

SCHEMBL4057210

N#Cc1cccc(-c2nc3ncc(-c4ccccc4)cc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
USP30 Q70CQ3 7/20 0.53
PIN1 Q13526 1/20 0.48
AURKA O14965 3/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
TDO2 P48775 1/20 0.44
CLK4 Q9HAZ1 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 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
SCHEMBL4053814 0.88 USP30 (0.51) USP30AURKAGABRA1GABRG2GABRB3
SCHEMBL4050578 0.85 AURKA (0.53) GSK3BUSP30PIN1AURKACLK4
SCHEMBL4059131 0.83 AURKA (0.56) GSK3BUSP30AURKACLK4
SCHEMBL4058832 0.83 AURKA (0.46) GSK3BUSP30PIN1AURKACLK4
SCHEMBL4061926 0.83 GUSB (0.48) USP30AURKA
SCHEMBL4051344 0.82 USP30 (0.47) GSK3BUSP30PIN1AURKAGABRA1
SCHEMBL4061906 0.81 MGAM (0.51) PIN1AURKA
SCHEMBL4058688 0.80 AURKA (0.58) USP30AURKA
SCHEMBL4050475 0.80 NR1I3 (0.52) USP30PIN1AURKA
SCHEMBL4052742 0.80 GUSB (0.52) PIN1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B GSK3B 284/4885USP30 2997/4885PIN1 2626/4885

“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.