SCHEMBL17630708

SCHEMBL17630708

N#Cc1cc(Br)ccc1OC1CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.40
XDH P47989 1/20 0.36
SLC6A4 P31645 1/20 0.35
IKBKE Q14164 4/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL24860958 0.84 XDH (0.47) TBK1XDHSLC6A4IKBKEMAOA
SCHEMBL15716135 0.84 XDH (0.44) TBK1XDHSLC6A4IKBKEMAOA
SCHEMBL17306341 0.82 XDH (0.46) TBK1XDHSLC6A4IKBKEMAOA
SCHEMBL17289661 0.80 TBK1 (0.38) TBK1XDHSLC6A4IKBKEMAOA
SCHEMBL1667546 0.80 TBK1 (0.51) TBK1IKBKE
SCHEMBL17289632 0.78 TBK1 (0.42) TBK1XDHSLC6A4IKBKENOS3
SCHEMBL17289631 0.78 NOS3 (0.36) TBK1XDHSLC6A4IKBKEMAOA
SCHEMBL2724566 0.77 KCNJ1 (0.40) SLC6A4MAOAMAOBNPY1RNPY2R
SCHEMBL14977113 0.77 TBK1 (0.40) TBK1SLC6A4IKBKEMAOAMAOB
SCHEMBL17630245 0.75 TBK1 (0.37) TBK1IKBKE

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 8 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
EP-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 EP disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO 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 4/4885XDH 3680/4885SLC6A4 4422/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885XDH 3680/4885SLC6A4 4422/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885XDH 3680/4885SLC6A4 4422/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885XDH 3680/4885SLC6A4 4422/4885

“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.