SCHEMBL16994792

SCHEMBL16994792

Cc1ccc(C2CCN(CC(F)F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.51
TLR8 Q9NR97 3/20 0.47
TLR7 Q9NYK1 3/20 0.47
TLR9 Q9NR96 1/20 0.47
DRD2 P14416 4/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL23374690 0.85 SLC18A3 (0.49) SLC18A3TLR8TLR7TLR9DRD2
SCHEMBL4519074 0.84 SLC18A3 (0.52) SLC18A3TLR8TLR7TLR9DRD2
SCHEMBL17306126 0.84 SLC18A3 (0.49) SLC18A3TLR8TLR7TLR9DRD2
SCHEMBL17630951 0.83 SLC18A3 (0.48) SLC18A3TLR8TLR7TLR9DRD2
SCHEMBL29964208 0.83 SLC18A3 (0.57) SLC18A3TLR8TLR7TLR9DRD2
SCHEMBL4403445 0.83 SLC18A3 (0.48) SLC18A3TLR8TLR7TLR9DRD2
SCHEMBL10195717 0.80 SLC18A3 (0.52) SLC18A3TLR8TLR7TLR9DRD2
SCHEMBL81641 0.79 DRD2 (0.54) SLC18A3DRD2DRD4DRD3ALDH1A1
SCHEMBL17290044 0.78 SLC18A3 (0.50) SLC18A3DRD2RAB9ANPC1
SCHEMBL10196673 0.78 DRD2 (0.54) SLC18A3TLR9DRD2DRD4DRD3

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 7 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
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 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 (3 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS SLC18A3 4614/4885TLR8 3481/4885TLR7 3524/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS SLC18A3 4614/4885TLR8 3481/4885TLR7 3524/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SLC18A3 3774/4885TLR8 1899/4885TLR7 1115/4885

“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.