SCHEMBL520715

SCHEMBL520715

C[C@H](O)CN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
GFER P55789 5/20 0.62
KDM4E B2RXH2 4/20 0.62
GAA P10253 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RAD52 P43351 1/20 0.62
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 5/20 0.53
ADRA2C P18825 2/20 0.53
PTK2B Q14289 1/20 0.53
ESR2 Q92731 1/20 0.53
CASP6 P55212 1/20 0.50
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL519213 1.00 MAPT (0.62) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL519214 1.00 MAPT (0.62) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL5741708 0.86 MAPT (0.66) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL23823284 0.85 GFER (0.60) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL11621545 0.85 MAPT (0.56) MAPTGFERKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11622944 0.83 MAPT (0.58) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL11622263 0.83 ALDH1A1 (0.68) MAPTGFERKDM4EGAAALDH1A1
SCHEMBL3768808 0.83 ADRA2C (0.57) MAPTGFERKDM4EALDH1A1KMT2A
SCHEMBL3758441 0.83 ADRA2C (0.57) MAPTGFERKDM4EALDH1A1KMT2A
SCHEMBL2634212 0.83 ADRA2C (0.57) MAPTGFERKDM4EALDH1A1KMT2A

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 13 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
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (5 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 MAPT 2232/4885GFER 4768/4885KDM4E 1474/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MAPT 2232/4885GFER 4768/4885KDM4E 1474/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MAPT 2232/4885GFER 4768/4885KDM4E 1474/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MAPT 2232/4885GFER 4768/4885KDM4E 1474/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 MAPT 3109/4885GFER 4090/4885KDM4E 192/4885

“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.