SCHEMBL3383882

SCHEMBL3383882

NCCCNc1nc(Nc2cccc(F)c2)ncc1C1CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.69
PDPK1 O15530 3/20 0.69
STK17A Q9UEE5 12/20 0.55
STK17B O94768 7/20 0.55
MARK3 P27448 1/20 0.50
MARK4 Q96L34 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
Hydrochloric Acid SCHEMBL3388695 0.99 TBK1 (0.68) TBK1PDPK1STK17ASTK17BMARK3
Trifluoroacetic Acid SCHEMBL3388242 0.92 TBK1 (0.68) TBK1PDPK1STK17ASTK17BMARK3
SCHEMBL3386112 0.89 TBK1 (0.56) TBK1PDPK1STK17ASTK17BMARK3
SCHEMBL3384213 0.89 TBK1 (0.55) TBK1PDPK1STK17ASTK17BMARK3
SCHEMBL3387821 0.89 TBK1 (0.71) TBK1PDPK1STK17AMARK3MARK4
SCHEMBL13460122 0.89 TBK1 (0.71) TBK1PDPK1STK17AMARK3MARK4
SCHEMBL3387818 0.88 TBK1 (0.73) TBK1PDPK1STK17AMARK3MARK4
Hydrochloric Acid SCHEMBL3384518 0.88 TBK1 (0.70) TBK1PDPK1STK17AMARK3MARK4
SCHEMBL3389519 0.88 TBK1 (0.54) TBK1PDPK1STK17ASTK17BMARK3
SCHEMBL3389594 0.88 STK17A (0.56) TBK1PDPK1STK17ASTK17B

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
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 2898/4885PDPK1 2468/4885STK17A 381/4885

“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.