SCHEMBL17645231

SCHEMBL17645231

Cc1cc(Br)cc(C#N)c1O[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.42
IKBKE Q14164 1/20 0.42
GPR119 Q8TDV5 10/20 0.41
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4B Q07343 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
DPP4 P27487 1/20 0.37
BTK Q06187 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL17631162 1.00 TBK1 (0.42) TBK1IKBKEGPR119USP30MEN1
SCHEMBL17631222 0.91 GPR119 (0.43) TBK1IKBKEGPR119USP30MEN1
SCHEMBL17631219 0.91 GPR119 (0.43) TBK1IKBKEGPR119USP30MEN1
SCHEMBL17630657 0.87 TBK1 (0.40) TBK1JAK2
SCHEMBL17630550 0.84 TBK1 (0.52) TBK1IKBKEGPR119USP30PDE4B
SCHEMBL17631334 0.84 TBK1 (0.52) TBK1IKBKEGPR119USP30PDE4B
SCHEMBL16853884 0.84 TBK1 (0.52) TBK1IKBKEGPR119USP30PDE4B
SCHEMBL16853568 0.84 TBK1 (0.52) TBK1IKBKEGPR119USP30PDE4B
SCHEMBL17630470 0.83 USP30 (0.43) TBK1IKBKEGPR119USP30MEN1
SCHEMBL17630469 0.83 USP30 (0.43) TBK1IKBKEGPR119USP30MEN1

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 4/4885IKBKE 41/4885GPR119 3446/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885IKBKE 41/4885GPR119 3446/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885IKBKE 41/4885GPR119 3446/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885IKBKE 41/4885GPR119 3446/4885

“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.