Sugi Predict

Sugi Predict / Compounds / SCHEMBL13735239

SCHEMBL13735239

SCHEMBL13735239

Nc1ccc(N2CCOCC2CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 8/20 0.41
▸ PIK3CA P42336 5/20 0.40
▸ PIK3R1 P27986 4/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ FPR2 P25090 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL15651450 1.00 MTOR (0.41) MTORPIK3CAPIK3R1PDK1FPR2
SCHEMBL17642602 0.86 AKR1C3 (0.42) MTORPDK1MAP4K1GAAMAPT
SCHEMBL17642593 0.86 AKR1C3 (0.42) MTORPDK1MAP4K1GAAMAPT
SCHEMBL20878004 0.84 PDK1 (0.40) MTORPIK3CAPIK3R1PDK1FPR2
SCHEMBL28909083 0.84 LMNA (0.43) MTORPIK3CAPIK3R1PDK1FPR2
SCHEMBL17660599 0.84 FKBP1A (0.45) MTORPIK3CAPIK3R1PDK1KDM4E
SCHEMBL17660617 0.84 FKBP1A (0.45) MTORPIK3CAPIK3R1PDK1KDM4E
SCHEMBL20457915 0.82 FKBP1A (0.44) MTORPIK3CAPIK3R1PDK1FPR2
SCHEMBL20457943 0.82 FKBP1A (0.44) MTORPIK3CAPIK3R1PDK1FPR2
SCHEMBL2477443 0.81 PDK1 (0.40) MTORPIK3CAPIK3R1PDK1FPR2

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 25 patents — showing the first 20. 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
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US 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-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
EP-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 — — EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 — — EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 — — CN disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — 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 (10 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 MTOR 253/4885PIK3CA 412/4885PIK3R1 850/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MTOR 327/4885PIK3CA 1016/4885PIK3R1 1064/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MTOR 291/4885PIK3CA 410/4885PIK3R1 1181/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MTOR 327/4885PIK3CA 1016/4885PIK3R1 1064/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MTOR 253/4885PIK3CA 412/4885PIK3R1 850/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MTOR 253/4885PIK3CA 412/4885PIK3R1 850/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK MTOR 327/4885PIK3CA 1016/4885PIK3R1 1064/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 MTOR 300/4885PIK3CA 1018/4885PIK3R1 810/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MTOR 293/4885PIK3CA 846/4885PIK3R1 877/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MTOR 293/4885PIK3CA 846/4885PIK3R1 877/4885

“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.