SCHEMBL519461

SCHEMBL519461

CC(O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.65
MAPT P10636 4/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 1/20 0.62
TDP1 Q9NUW8 1/20 0.61
SIRT6 Q8N6T7 1/20 0.59
HTR1A P08908 2/20 0.58
POLB P06746 4/20 0.55
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL519813 1.00 IGF1R (0.65) IGF1RMAPTALDH1A1HTTTDP1
SCHEMBL519460 1.00 IGF1R (0.65) IGF1RMAPTALDH1A1HTTTDP1
SCHEMBL2509040 0.92 SIRT6 (0.66) IGF1RMAPTALDH1A1HTTTDP1
SCHEMBL2509037 0.92 SIRT6 (0.66) IGF1RMAPTALDH1A1HTTTDP1
SCHEMBL5741339 0.88 SIRT6 (0.62) IGF1RMAPTALDH1A1HTTTDP1
SCHEMBL1813011 0.83 TDP1 (0.65) IGF1RMAPTALDH1A1HTTTDP1
SCHEMBL7768027 0.82 IGF1R (0.55) IGF1RMAPTALDH1A1HTTTDP1
SCHEMBL3756774 0.82 MAPT (0.56) IGF1RMAPTALDH1A1HTTTDP1
SCHEMBL6992319 0.81 SIRT6 (0.64) MAPTALDH1A1HTTSIRT6POLB
SCHEMBL374222 0.80 SIRT6 (0.68) MAPTALDH1A1SIRT6POLBLMNA

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 11 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
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US 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 IGF1R 1956/4885MAPT 2232/4885ALDH1A1 4260/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS IGF1R 1956/4885MAPT 2232/4885ALDH1A1 4260/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS IGF1R 1956/4885MAPT 2232/4885ALDH1A1 4260/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS IGF1R 1956/4885MAPT 2232/4885ALDH1A1 4260/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 IGF1R 1028/4885MAPT 3109/4885ALDH1A1 779/4885

“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.