Sugi Predict

Sugi Predict / Compounds / SCHEMBL16554255

SCHEMBL16554255

SCHEMBL16554255

CCOC(=O)C(C#N)C1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ APP P05067 2/20 0.42
▸ JAK2 O60674 4/20 0.42
▸ JAK1 P23458 4/20 0.42
▸ STS P08842 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL3530835 0.92 GPR119 (0.42) KMT2AJAK2JAK1OPRM1
SCHEMBL3526640 0.91 NPC1 (0.44) ALDH1A1GAAJAK2JAK1
SCHEMBL4405768 0.90 JAK2 (0.47) JAK2JAK1OPRM1
SCHEMBL4407528 0.90 TSHR (0.47) APPJAK2JAK1OPRM1OPRD1
SCHEMBL3523465 0.90 JAK2 (0.42) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL14272848 0.89 JAK2 (0.40) MEN1KMT2AALDH1A1JAK2JAK1
SCHEMBL3523742 0.89 TP53 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL16553939 0.88 MEN1 (0.46) MEN1KMT2ANPSR1JAK2JAK1
SCHEMBL4413039 0.87 JAK2 (0.47) ALDH1A1JAK2JAK1
SCHEMBL4407208 0.87 JAK2 (0.41) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 — — EP disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 — — EP disclosed
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 — — EP disclosed
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 — — EP disclosed
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-27 — — US disclosed
US-20180298033-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-18 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 — — US disclosed
EP-3116862-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-01-18 — — EP disclosed
EP-3041841-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2016-07-13 — — EP disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
WO-2015135091-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — WO disclosed
WO-2015135091-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — WO disclosed
WO-2015138220-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — WO disclosed
WO-2015138220-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — WO disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 — — 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MEN1 2118/4885KMT2A 1797/4885ALDH1A1 1339/4885
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS PREP, CTSZ, PEPD MEN1 4853/4885KMT2A 1767/4885ALDH1A1 955/4885
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors PREP, CTSZ, PEPD MEN1 4853/4885KMT2A 1767/4885ALDH1A1 955/4885
US-20180298033-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MEN1 2118/4885KMT2A 1797/4885ALDH1A1 1339/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MEN1 2118/4885KMT2A 1797/4885ALDH1A1 1339/4885

“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.