SCHEMBL17631252

SCHEMBL17631252

Cc1cc([N+](=O)[O-])ccc1C1=CCN(C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.46
▸ ADAM10 O14672 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP3A4 P08684 2/20 0.41
▸ NPBWR1 P48145 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ RECQL P46063 2/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL521746 0.84 SLC6A4 (0.63) SLC6A4ADAM10ERBB2ALDH1A1TDP1
SCHEMBL30912591 0.84 SLC6A4 (0.63) SLC6A4ADAM10ERBB2ALDH1A1TDP1
SCHEMBL15581635 0.83 ADAM10 (0.44) SLC6A4ADAM10ERBB2ALDH1A1TDP1
SCHEMBL15524785 0.80 ADAM10 (0.56) SLC6A4ADAM10ERBB2ALDH1A1TDP1
SCHEMBL15524784 0.80 ADAM10 (0.56) SLC6A4ADAM10ERBB2ALDH1A1TDP1
SCHEMBL30962736 0.80 SLC6A4 (0.55) SLC6A4ADAM10ERBB2ALDH1A1TDP1
SCHEMBL17495520 0.79 SLC6A4 (0.49) SLC6A4L3MBTL1KMT2AMAPTMEN1
SCHEMBL10036445 0.78 ADAM10 (0.46) SLC6A4ADAM10ERBB2ALDH1A1TDP1
SCHEMBL10036406 0.76 SLC6A4 (0.47) SLC6A4ADAM10ERBB2ALDH1A1TDP1
SCHEMBL521178 0.76 ADAM10 (0.49) SLC6A4ADAM10ERBB2ALDH1A1TDP1

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 SLC6A4 4422/4885ADAM10 2877/4885ERBB2 1147/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS SLC6A4 4422/4885ADAM10 2877/4885ERBB2 1147/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS SLC6A4 4422/4885ADAM10 2877/4885ERBB2 1147/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS SLC6A4 4422/4885ADAM10 2877/4885ERBB2 1147/4885

“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.

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