SCHEMBL17289752

SCHEMBL17289752

CN1CCN(c2ccc(-c3cc4c(Br)ccnc4n3S(=O)(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 2/20 0.43
HTR1A P08908 1/20 0.42
FGFR4 P22455 1/20 0.42
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
MAPKAPK2 P49137 2/20 0.41
ALK Q9UM73 5/20 0.40
ACVR1 Q04771 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIM1 P11309 2/20 0.39
CDC7 O00311 1/20 0.39
CDK9 P50750 1/20 0.39
PIM3 Q86V86 1/20 0.39

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
SCHEMBL4316854 0.89 PKM (0.44) ACVR1ALDH1A1TDP1POLB
SCHEMBL17289905 0.85 GAA (0.40) HTR6DRD2DRD3ALDH1A1
SCHEMBL29941106 0.84 CA12 (0.42) HTR6ALDH1A1
SCHEMBL17289842 0.84 CA12 (0.42) HTR6ALDH1A1
SCHEMBL4309099 0.83 HTR6 (0.37) HTR6DRD2DRD3HTR2BSMN1; SMN2
SCHEMBL26104341 0.82 HTR6 (0.39) HTR6DRD2DRD3HTR1AFGFR4
SCHEMBL30362017 0.82 HTR6 (0.39) HTR6DRD2DRD3HTR1AFGFR4
SCHEMBL17290071 0.82 ABL1 (0.43) ACVR1ALDH1A1SMN1; SMN2POLB
SCHEMBL4323609 0.81 HTR1A (0.42) HTR6DRD2HTR1AHTR7ALDH1A1
SCHEMBL4318163 0.81 AURKA (0.40) HTR6ACVR1NPC1ALDH1A1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
US-10259811-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-16 US disclosed
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-01-17 US disclosed
US-10072001-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-09-11 US disclosed
EP-3152210-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-04-12 EP disclosed
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 WO disclosed
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 WO disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS HTR6 3840/4885DRD2 4868/4885DRD3 4865/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HTR6 3840/4885DRD2 4868/4885DRD3 4865/4885
US-10072001-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HTR6 3840/4885DRD2 4868/4885DRD3 4865/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS HTR6 3840/4885DRD2 4868/4885DRD3 4865/4885

“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.