SCHEMBL17630256

SCHEMBL17630256

Clc1ncnc(Nc2ccc(N3CC4CCC(C3)O4)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
KDR P35968 1/20 0.42
TBK1 Q9UHD2 2/20 0.40
JAK2 O60674 1/20 0.40
LRRK2 Q5S007 5/20 0.39
SYK P43405 3/20 0.38
PLK4 O00444 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNK2 Q07912 1/20 0.38
WEE1 P30291 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37

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
SCHEMBL17630292 0.82 TBK1 (0.42) ADORA3SLC6A2PDE4AKDRTBK1
SCHEMBL16234787 0.79 SYK (0.57) TBK1JAK2LRRK2SYKPLK4
SCHEMBL16652480 0.77 CDK4 (0.45) TBK1JAK2SYKMAPTWEE1
SCHEMBL16652478 0.77 CDK4 (0.45) TBK1JAK2SYKMAPTWEE1
SCHEMBL17630953 0.76 JAK2 (0.51) TBK1JAK2WEE1
SCHEMBL17630427 0.75 JAK2 (0.60) TBK1JAK2
SCHEMBL17630328 0.74 ADORA3 (0.43) ADORA3SLC6A2PDE4AKDRTBK1
SCHEMBL17630907 0.74 TBK1 (0.47) ADORA3SLC6A2PDE4AKDRTBK1
SCHEMBL17631507 0.73 ACVR1 (0.48) KDRTBK1JAK2LRRK2PLK4
SCHEMBL17631039 0.73 JAK2 (0.47) TBK1JAK2SYKALK

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-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-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-12-27 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
EP-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 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

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-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ADORA3 4787/4885SLC6A2 4757/4885PDE4A 3178/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS ADORA3 4787/4885SLC6A2 4757/4885PDE4A 3178/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS ADORA3 4787/4885SLC6A2 4757/4885PDE4A 3178/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ADORA3 4787/4885SLC6A2 4757/4885PDE4A 3178/4885

“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.