SCHEMBL17645235

SCHEMBL17645235

Clc1ncnc(Nc2ccc(C3CCOCC3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.43
SCN9A Q15858 3/20 0.41
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.41
KDR P35968 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
TNK2 Q07912 1/20 0.41
SYK P43405 2/20 0.40
RORC P51449 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
LYN P07948 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
FGFR3 P22607 1/20 0.38

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
SCHEMBL17630725 0.82 TBK1 (0.53) TBK1KCNH2KDRABL1LCK
SCHEMBL17631122 0.78 SYK (0.46) TBK1SCN9AKCNH2KDRSYK
SCHEMBL17630953 0.77 JAK2 (0.51) TBK1JAK3JAK2
SCHEMBL16234787 0.77 SYK (0.57) TBK1SYKJAK2
SCHEMBL2352230 0.74 ADORA3 (0.69) SCN9AKCNH2SCN5AKDRADORA3
SCHEMBL17630292 0.73 TBK1 (0.42) TBK1KDRADORA3SLC6A2PDE4A
SCHEMBL17630256 0.73 ADORA3 (0.42) TBK1SCN9AKCNH2SCN5AKDR
SCHEMBL17630908 0.72 IGF1R (0.54) LCKJAK3JAK2
SCHEMBL17630907 0.72 TBK1 (0.47) TBK1KDRADORA3SLC6A2PDE4A
SCHEMBL27589799 0.71 SMN1; SMN2 (0.65) SCN9AKCNH2SCN5AKDRADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-12-27 US disclosed
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 (4 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-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885SCN9A 3426/4885KCNH2 4173/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885SCN9A 3426/4885KCNH2 4173/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885SCN9A 3426/4885KCNH2 4173/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885SCN9A 3426/4885KCNH2 4173/4885

“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.