SCHEMBL20720945

SCHEMBL20720945

Cc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(C=O)CC4)ccn3)[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.76

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
SCHEMBL20720800 0.90 TBK1 (0.76) TBK1
SCHEMBL19005185 0.89 TBK1 (0.75) TBK1
SCHEMBL20720795 0.89 TBK1 (0.74) TBK1
Hydrochloric Acid SCHEMBL20720918 0.88 TBK1 (0.74) TBK1
SCHEMBL18985601 0.86 TBK1 (1.00) TBK1
SCHEMBL20720854 0.85 TBK1 (0.74) TBK1
SCHEMBL18985375 0.85 TBK1 (0.83) TBK1
SCHEMBL18985473 0.85 TBK1 (1.00) TBK1
SCHEMBL20720818 0.84 TBK1 (0.73) TBK1
SCHEMBL20720830 0.83 TBK1 (0.73) TBK1

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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US claimed

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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 TBK1 1468/4885

“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.