SCHEMBL3386220

SCHEMBL3386220

CN(C)CCc1ccc(Nc2ncc(C3CC3)c(NCCCN)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.58
STK17A Q9UEE5 18/20 0.54
STK17B O94768 8/20 0.53

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
SCHEMBL3382459 0.87 STK17A (0.54) TBK1STK17ASTK17B
SCHEMBL3386215 0.86 TBK1 (0.58) TBK1
SCHEMBL3385888 0.84 TBK1 (0.49) TBK1STK17ASTK17B
SCHEMBL13431935 0.83 TBK1 (0.84) TBK1
SCHEMBL3384271 0.83 TBK1 (0.52) TBK1STK17ASTK17B
SCHEMBL3385918 0.83 TBK1 (0.51) TBK1STK17ASTK17B
SCHEMBL3385958 0.82 STK17A (0.68) TBK1STK17ASTK17B
SCHEMBL3389486 0.82 STK17A (0.55) TBK1STK17ASTK17B
SCHEMBL3388980 0.81 TBK1 (0.54) TBK1STK17ASTK17B
SCHEMBL3386061 0.81 STK17A (0.56) TBK1STK17ASTK17B

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-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 TBK1 2898/4885STK17A 381/4885STK17B 595/4885

“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.