SCHEMBL17665183

SCHEMBL17665183

CO[C@H]1CCN(C(=O)C2CCC(=O)N2)C[C@H]1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
NAMPT P43490 4/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
JAK2 O60674 3/20 0.37
POLB P06746 1/20 0.37
TGM2 P21980 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36
PARP1 P09874 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
SCHEMBL17665178 1.00 TBK1 (0.40) TBK1PIK3CDPIK3CANAMPTTPSAB1
SCHEMBL17665180 1.00 TBK1 (0.40) TBK1PIK3CDPIK3CANAMPTTPSAB1
SCHEMBL17665186 0.93 TBK1 (0.38) TBK1PIK3CDPIK3CANAMPTJAK2
SCHEMBL17642622 0.87 TBK1 (0.39) TBK1PIK3CDPIK3CANAMPTTPSAB1
SCHEMBL17642422 0.87 TBK1 (0.39) TBK1PIK3CDPIK3CANAMPTTPSAB1
SCHEMBL20457924 0.86 TBK1 (0.39) TBK1PIK3CDPIK3CANAMPTTPSAB1
SCHEMBL20457864 0.86 TBK1 (0.39) TBK1PIK3CDPIK3CANAMPTTPSAB1
SCHEMBL20458001 0.86 TBK1 (0.39) TBK1PIK3CDPIK3CANAMPTTPSAB1
SCHEMBL20457925 0.86 TBK1 (0.44) TBK1PIK3CDPIK3CANAMPTTPSAB1
SCHEMBL17665192 0.80 TBK1 (0.39) TBK1JAK2NPC1RAB9AKMT2A

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 4 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-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 4/4885PIK3CD 726/4885PIK3CA 412/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885PIK3CD 726/4885PIK3CA 412/4885

“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.