SCHEMBL3475574

SCHEMBL3475574

O=C1N=c2cc3c(cc2C(=O)N1)=NC(=O)NC3=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.35
PPOX P50336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP3 P42574 1/20 0.30
CASP2 P42575 1/20 0.30
CASP7 P55210 1/20 0.30
CASP6 P55212 1/20 0.30
CASP8 Q14790 1/20 0.30

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
SCHEMBL6902949 0.82
SCHEMBL6927021 0.60
SCHEMBL6551950 0.60
SCHEMBL11243073 0.60
SCHEMBL30991803 0.58 MAPT (0.48) PPOXKDM4EMAPT
SCHEMBL555451 0.56 GSK3B (0.52) GSK3BKDM4EMEN1POLBMAPT
SCHEMBL21296775 0.56 GSK3B (0.52) GSK3BKDM4EMEN1POLBMAPT
SCHEMBL1081926 0.56 GRM5 (0.55) GSK3BPPOXKDM4EMEN1MAPT
SCHEMBL5393784 0.56 GSK3B (0.48) GSK3BPPOXKDM4EMEN1POLB
SCHEMBL18662881 0.55 DYRK1A (0.44) GSK3BPPOXKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193430-B2 Methods for separating carbon nanotubes THE UNIVERSITY OF CONNECTICUT (US) 2012-06-05 US disclosed
US-20100044230-A1 METHODS FOR SEPARATING CARBON NANOTUBES UNIVERSITY OF CONNECTICUT (US) 2010-02-25 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 (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-20100044230-A1 METHODS FOR SEPARATING CARBON NANOTUBES FSCN1, TTPA, FLNB GSK3B 2884/4885PPOX 164/4885KDM4E 4262/4885

“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.