SCHEMBL3385958

SCHEMBL3385958

NCCCNc1nc(Nc2ccc(F)cc2)ncc1C1CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 16/20 0.68
STK17B O94768 9/20 0.68
TBK1 Q9UHD2 3/20 0.53
PDPK1 O15530 1/20 0.53
AURKA O14965 1/20 0.50

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
SCHEMBL3386164 0.89 STK17A (0.60) STK17ASTK17BTBK1PDPK1
SCHEMBL3384213 0.89 TBK1 (0.55) STK17ASTK17BTBK1PDPK1
SCHEMBL3389486 0.88 STK17A (0.55) STK17ASTK17BTBK1PDPK1
SCHEMBL3388285 0.88 STK17A (0.52) STK17ASTK17BTBK1
SCHEMBL3388980 0.87 TBK1 (0.54) STK17ASTK17BTBK1
SCHEMBL3383882 0.87 TBK1 (0.69) STK17ASTK17BTBK1PDPK1
SCHEMBL3386061 0.87 STK17A (0.56) STK17ASTK17BTBK1
SCHEMBL3386149 0.87 STK17A (0.56) STK17ASTK17BTBK1
SCHEMBL3389061 0.87 STK17A (0.56) STK17ASTK17B
SCHEMBL3388867 0.87 STK17A (0.51) 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 595/4885TBK1 2898/4885

“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.