SCHEMBL3389538

SCHEMBL3389538

NCCCNc1nc(Nc2ccc3cn(CC4CC4)nc3c2)ncc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 15/20 0.45
STK17B O94768 8/20 0.45
ULK1 O75385 3/20 0.45
ULK2 Q8IYT8 3/20 0.45
TBK1 Q9UHD2 2/20 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
SCHEMBL3389536 0.87 ULK1 (0.45) STK17AULK1ULK2TBK1
SCHEMBL3389036 0.86 TBK1 (0.49) STK17ASTK17BULK1ULK2TBK1
SCHEMBL13431992 0.85 TBK1 (0.64) STK17AULK1ULK2TBK1
SCHEMBL3387555 0.82 TBK1 (0.56) STK17ASTK17BTBK1
SCHEMBL3389482 0.81 TBK1 (0.49) STK17ASTK17BULK1ULK2TBK1
SCHEMBL3387331 0.80 STK17A (0.52) STK17ASTK17BULK1TBK1
SCHEMBL13431997 0.78 TBK1 (0.66) STK17AULK1ULK2TBK1
SCHEMBL3386164 0.78 STK17A (0.60) STK17ASTK17BTBK1
SCHEMBL3385958 0.78 STK17A (0.68) STK17ASTK17BTBK1
SCHEMBL3389486 0.78 STK17A (0.55) STK17ASTK17BTBK1

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 STK17A 381/4885STK17B 595/4885ULK1 2369/4885

“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.