SCHEMBL17289808

SCHEMBL17289808

N#Cc1cc(Br)ccc1CCl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
SLC1A5 Q15758 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CSNK2A1 P68400 2/20 0.34
PYCR1 P32322 2/20 0.33
CHEK1 O14757 1/20 0.33
SNCA P37840 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL29529036 0.82 MPO (0.40) MPOMAOBMAOASLC1A5NOS3
SCHEMBL365958 0.82 MPO (0.40) MPOMAOBMAOASLC1A5NOS3
SCHEMBL3273772 0.80 MPO (0.39) MPOMAOBMAOASLC1A5NOS3
SCHEMBL17157309 0.80 CSNK2A1 (0.49) MPOMAOBMAOASLC1A5NOS3
SCHEMBL31434232 0.80 MAOB (0.40) MPOMAOBMAOASLC1A5NOS3
SCHEMBL25447720 0.80 MPO (0.42) MPOMAOBMAOASLC1A5NOS3
SCHEMBL29273438 0.79 IMPDH2 (0.38) SNCA
SCHEMBL27526851 0.78 MPO (0.39) MPOMAOBMAOASLC1A5NOS3
SCHEMBL22229451 0.78 RXRA (0.38) MPOCHEK1LMNA
SCHEMBL22481606 0.78 CYP2A6 (0.42) MAOBMAOANOS3NOS1NOS2

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 8 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
CN-106459044-A Tank-binding kinase inhibitor compounds 吉利德科学公司 2017-02-22 CN 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 MPO 4532/4885MAOB 4119/4885MAOA 4641/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MPO 4532/4885MAOB 4119/4885MAOA 4641/4885
US-10072001-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MPO 4532/4885MAOB 4119/4885MAOA 4641/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MPO 4532/4885MAOB 4119/4885MAOA 4641/4885

“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.