SCHEMBL17660799

SCHEMBL17660799

N#Cc1cc(-c2nccc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.73
JAK2 O60674 7/20 0.59
PLK4 O00444 1/20 0.49
MAPK10 P53779 1/20 0.49
KDR P35968 1/20 0.48

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
SCHEMBL17660755 0.89 TBK1 (0.76) TBK1JAK2
SCHEMBL17630756 0.85 TBK1 (1.00) TBK1JAK2
SCHEMBL17660796 0.82 TBK1 (0.76) TBK1JAK2
SCHEMBL17660789 0.80 TBK1 (0.77) TBK1JAK2MAPK10KDR
SCHEMBL17660756 0.80 TBK1 (0.73) TBK1JAK2
SCHEMBL17661037 0.79 TBK1 (0.77) TBK1JAK2
SCHEMBL17660824 0.78 TBK1 (0.78) TBK1JAK2
SCHEMBL17661040 0.78 TBK1 (0.79) TBK1JAK2PLK4KDR
SCHEMBL17660771 0.78 JAK2 (0.79) TBK1JAK2
SCHEMBL17660782 0.78 TBK1 (0.79) TBK1JAK2PLK4KDR

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-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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 (2 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-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885JAK2 750/4885PLK4 476/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885JAK2 750/4885PLK4 476/4885

“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.