SCHEMBL13432168

SCHEMBL13432168

O=C(NCCCNc1nc(Nc2cccc(F)c2)ncc1Br)C1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 1.00
▸ PDPK1 O15530 4/20 1.00
▸ MARK4 Q96L34 3/20 0.73
▸ STK17A Q9UEE5 3/20 0.73
▸ MARK3 P27448 2/20 0.73

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
SCHEMBL13432263 0.89 TBK1 (1.00) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL13431782 0.89 TBK1 (1.00) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL13432312 0.88 TBK1 (0.85) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL13432220 0.88 TBK1 (0.80) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL13431778 0.87 TBK1 (0.97) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL13431759 0.86 TBK1 (0.95) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL13431783 0.85 TBK1 (0.93) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL13898053 0.82 TBK1 (0.95) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL13431894 0.81 TBK1 (0.81) TBK1PDPK1MARK4STK17AMARK3
SCHEMBL1285315 0.80 TBK1 (0.67) TBK1PDPK1MARK4STK17AMARK3

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 2468/4885MARK4 1102/4885

“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.

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