SCHEMBL3389482

SCHEMBL3389482

NCCCNc1nc(Nc2ccc3cnn(CC4CC4)c3c2)ncc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.49
STK17A Q9UEE5 14/20 0.46
STK17B O94768 8/20 0.46
SYK P43405 1/20 0.45
ULK1 O75385 2/20 0.43
ULK2 Q8IYT8 2/20 0.43
PDPK1 O15530 1/20 0.43

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
SCHEMBL3383890 0.87 TBK1 (0.63) TBK1STK17ASTK17BULK1ULK2
SCHEMBL3389474 0.87 SYK (0.53) TBK1STK17ASYKULK1ULK2
SCHEMBL13432213 0.84 TBK1 (0.72) TBK1STK17AULK1ULK2PDPK1
SCHEMBL3389538 0.81 STK17A (0.45) TBK1STK17ASTK17BULK1ULK2
SCHEMBL3389607 0.81 TBK1 (0.72) TBK1STK17ASTK17BSYKULK1
SCHEMBL3387555 0.79 TBK1 (0.56) TBK1STK17ASTK17B
SCHEMBL3386164 0.79 STK17A (0.60) TBK1STK17ASTK17BPDPK1
SCHEMBL3385798 0.78 STK17A (0.51) TBK1STK17ASTK17BPDPK1
SCHEMBL3388707 0.78 TBK1 (0.55) TBK1STK17ASTK17BULK1ULK2
SCHEMBL13431986 0.78 TBK1 (0.79) TBK1STK17AULK1ULK2PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 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-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.