SCHEMBL17665192

SCHEMBL17665192

CO[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.39
TACR1 P25103 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 4/20 0.31
VNN1 O95497 1/20 0.30

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
SCHEMBL20457884 0.88 TACR1 (0.43) TBK1TACR1JAK2
SCHEMBL20457865 0.87 TBK1 (0.38) TBK1TACR1NPC1RAB9AKMT2A
SCHEMBL17665183 0.80 TBK1 (0.40) TBK1NPC1RAB9AKMT2AJAK2
SCHEMBL17665178 0.80 TBK1 (0.40) TBK1NPC1RAB9AKMT2AJAK2
SCHEMBL17665180 0.80 TBK1 (0.40) TBK1NPC1RAB9AKMT2AJAK2
SCHEMBL17665186 0.78 TBK1 (0.38) TBK1NPC1RAB9AKMT2AJAK2
SCHEMBL17665190 0.74 DPP4 (0.46) TBK1
SCHEMBL21204574 0.74 DPP4 (0.46) TBK1
SCHEMBL21204309 0.74 NPC1 (0.30) NPC1RAB9AKMT2A
SCHEMBL17665137 0.74 DPP4 (0.46) TBK1

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 3 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-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 (1 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-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885TACR1 4830/4885NPC1 2146/4885

“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.