SCHEMBL17289652

SCHEMBL17289652

C[Si](C)(C)CCOCn1c(-c2ccc(OCCN3CCCC3)cc2)cc2c(Cl)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 2/20 0.41
LTA4H P09960 5/20 0.41
ESR1 P03372 8/20 0.40
PTGS2 P35354 2/20 0.40
ESR2 Q92731 2/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL30862665 0.84 TDP1 (0.38)
SCHEMBL1890820 0.81 DGAT1 (0.42) PTPN1
SCHEMBL21484350 0.81 PIM1 (0.40) HRH3KCNH2HTR1A
SCHEMBL24541937 0.81 NPC1 (0.36)
SCHEMBL21409297 0.81 NPC1 (0.36) ESR1
SCHEMBL30862663 0.80 NPC1 (0.35)
SCHEMBL21484352 0.78 HRH3 (0.36) HRH3KCNH2
SCHEMBL21484313 0.78 MEN1 (0.38) KCNH2
SCHEMBL30703117 0.78 HRH3 (0.36) HRH3KCNH2
SCHEMBL17290058 0.78 TBK1 (0.62) ESR1SIGMAR1

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-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP 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
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 MCHR1 4822/4885HRH3 4048/4885KCNH2 4173/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MCHR1 4822/4885HRH3 4048/4885KCNH2 4173/4885
US-10072001-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MCHR1 4822/4885HRH3 4048/4885KCNH2 4173/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MCHR1 4822/4885HRH3 4048/4885KCNH2 4173/4885

“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.