SCHEMBL522085

SCHEMBL522085

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.52
ADAM10 O14672 1/20 0.51
ERBB2 P04626 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
GRM1 Q13255 9/20 0.47
GRM5 P41594 8/20 0.47
HTR6 P50406 1/20 0.46
JAK1 P23458 1/20 0.45
NAMPT P43490 1/20 0.44
CNR1 P21554 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL29864873 1.00 PDK4 (0.52) PDK4ADAM10ERBB2ALDH1A1LMNA
SCHEMBL17645336 0.94 ADAM10 (0.49) PDK4ADAM10ERBB2ALDH1A1LMNA
SCHEMBL30962651 0.94 ALDH1A1 (0.48) PDK4ADAM10ERBB2ALDH1A1LMNA
SCHEMBL6365955 0.92 PDK4 (0.52) PDK4ADAM10ERBB2ALDH1A1LMNA
SCHEMBL30962602 0.89 ALDH1A1 (0.49) PDK4ADAM10ERBB2ALDH1A1LMNA
SCHEMBL519962 0.89 PDK4 (0.49) PDK4ADAM10ERBB2ALDH1A1LMNA
SCHEMBL16385571 0.88 PDK4 (0.51) PDK4ADAM10ERBB2ALDH1A1LMNA
SCHEMBL29535433 0.88 PDK4 (0.51) PDK4ALDH1A1LMNAMAPTGRM1
SCHEMBL10036179 0.88 PDK4 (0.51) PDK4ALDH1A1LMNAMAPTGRM1
SCHEMBL282496 0.88 PDK4 (0.50) PDK4ADAM10ERBB2ALDH1A1LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603256-B Pyrimidopyrimidinones useful as WEE-1 kinase inhibitors 阿尔麦克探索有限公司 2022-10-28 CN disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
CN-110835320-A Diaminopyrimidine compound and application thereof 江苏奥赛康药业有限公司 2020-02-25 CN disclosed
CN-110603256-A Pyrimidopyrimidinones useful as WEE-1 kinase inhibitors 阿尔麦克探索有限公司 2019-12-20 CN disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US 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-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 WO 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 (9 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 PDK4 1636/4885ADAM10 2877/4885ERBB2 1147/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 PDK4 645/4885ADAM10 3038/4885ERBB2 1246/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDK4 267/4885ADAM10 862/4885ERBB2 30/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS PDK4 1636/4885ADAM10 2877/4885ERBB2 1147/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS PDK4 1636/4885ADAM10 2877/4885ERBB2 1147/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDK4 267/4885ADAM10 862/4885ERBB2 30/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR PDK4 1898/4885ADAM10 1586/4885ERBB2 31/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 PDK4 419/4885ADAM10 3620/4885ERBB2 975/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 PDK4 685/4885ADAM10 4400/4885ERBB2 165/4885

“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.