Sugi Predict

Sugi Predict / Compounds / SCHEMBL2598872

SCHEMBL2598872

SCHEMBL2598872

CC(C)(C)OC(=O)N1CCCC1c1cc(F)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.46
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ APP P05067 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ PSEN1 P49768 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
SCHEMBL15154729 1.00 RIPK1 (0.46) RIPK1LMNANPSR1APPHTR1A
SCHEMBL932474 0.89 NTRK1 (0.50) RIPK1APPHTR1AADRA2ADRD2
SCHEMBL21319501 0.89 NPSR1 (0.52) RIPK1LMNANPSR1APPHTR1A
SCHEMBL932475 0.89 NTRK1 (0.50) RIPK1APPHTR1AADRA2ADRD2
SCHEMBL29525364 0.89 NTRK1 (0.50) RIPK1APPHTR1AADRA2ADRD2
SCHEMBL30148073 0.89 NTRK1 (0.50) RIPK1APPHTR1AADRA2ADRD2
SCHEMBL17041234 0.86 RIPK1 (0.50) RIPK1LMNANPSR1APPHTR1A
SCHEMBL28660312 0.86 HSP90AA1 (0.47) RIPK1LMNANPSR1APPHTR1A
SCHEMBL29747367 0.84 UCHL1 (0.48) RIPK1LMNANPSR1APPHTR1A
SCHEMBL23865354 0.84 RIPK1 (0.43) RIPK1LMNANPSR1APPHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003209-B Macrocyclic compounds as TRK kinase inhibitors 阵列生物制药公司 2022-01-25 — — CN disclosed
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2020-09-17 — — US disclosed
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-05-12 — — US disclosed
EP-3521291-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2019-08-07 — — EP disclosed
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-01-31 — — US disclosed
US-9902741-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-02-27 — — US disclosed
US-9840519-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-12-12 — — US disclosed
US-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-10-05 — — US disclosed
US-9750744-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-09-05 — — US disclosed
EP-3205654-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2017-08-16 — — EP disclosed
US-20170112842-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-27 — — US disclosed
US-20170107232-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-20 — — US disclosed
US-9493476-B2 Macrocyclic compounds as trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2016-11-15 — — US disclosed
US-20150336970-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-11-26 — — US disclosed
EP-2918588-A1 Macrocyclic compounds as TRK kinase inhibitors Array Biopharma, Inc. (US) 2015-09-16 — — EP disclosed
US-8933084-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-01-13 — — US disclosed
EP-2571883-B1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-01-07 — — EP disclosed
US-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2013-08-08 — — US disclosed
EP-2571883-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2013-03-27 — — EP disclosed
WO-2011146336-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-11-24 — — 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 (8 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-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 RIPK1 167/4885LMNA 2759/4885NPSR1 2566/4885
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 RIPK1 167/4885LMNA 2759/4885NPSR1 2566/4885
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 RIPK1 151/4885LMNA 2746/4885NPSR1 2671/4885
US-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 RIPK1 167/4885LMNA 2759/4885NPSR1 2566/4885
US-20150336970-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 RIPK1 145/4885LMNA 2648/4885NPSR1 2516/4885
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors MAP3K20, MAP3K1, MAP3K3 RIPK1 151/4885LMNA 2746/4885NPSR1 2671/4885
US-20170107232-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 RIPK1 174/4885LMNA 2860/4885NPSR1 2634/4885
US-20170112842-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 RIPK1 167/4885LMNA 2759/4885NPSR1 2566/4885

“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.