Sugi Predict

Sugi Predict / Compounds / SCHEMBL2053864

SCHEMBL2053864

SCHEMBL2053864

CCN1CCC(N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCR5 P51681 3/20 0.39
▸ KDM4D Q6B0I6 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ ASGR1 P07306 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ DDR1 Q08345 1/20 0.35

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
SCHEMBL14416489 0.91 HSD11B1 (0.51) HSD11B1SMN1; SMN2CCR5KDM4DPDE10A
SCHEMBL17946238 0.86 HSD11B1 (0.46) HSD11B1CCR5KDM4DGPR119PDE10A
SCHEMBL26351715 0.86 HSD11B1 (0.46) HSD11B1CCR5KDM4DGPR119PDE10A
SCHEMBL14450362 0.85 HSD11B1 (0.44) HSD11B1CCR5
SCHEMBL5535484 0.85 HSD11B1 (0.45) HSD11B1CCR5KDM4DGPR119PDE10A
SCHEMBL29661949 0.84 HSD11B1 (0.44) HSD11B1CCR5KDM4DGPR119PDE10A
SCHEMBL22866444 0.84 HSD11B1 (0.44) HSD11B1CCR5KDM4DGPR119PDE10A
SCHEMBL17946755 0.84 HSD11B1 (0.44) HSD11B1CCR5KDM4DGPR119PDE10A
SCHEMBL20744999 0.84 HSD11B1 (0.44) HSD11B1CCR5KDM4DPDE10AASGR1
SCHEMBL21871399 0.82 HSD11B1 (0.44) HSD11B1CCR5KDM4DPIK3CD

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
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 — — EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 — — US disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 — — EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 — — US disclosed
EP-2513110-B1 1,7-DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2018-12-05 — — EP disclosed
EP-3050885-B1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-10-18 — — EP disclosed
US-20170145021-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC 2017-05-25 — — US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
CN-102791711-A 1, 7-diazacarbazoles and their use in the treatment of cancer HOFFMANN LA ROCHE 2012-11-21 — — CN disclosed
EP-2513110-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2012-10-24 — — EP disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — WO disclosed
WO-2011054845-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2011-05-12 — — 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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B HSD11B1 1163/4885SMN1; SMN2 2262/4885CCR5 1308/4885
US-20170145021-A1 NOVEL COMPOUNDS GABRE, GABRA1, GABRA6 HSD11B1 251/4885SMN1; SMN2 1660/4885CCR5 1583/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B HSD11B1 1163/4885SMN1; SMN2 2262/4885CCR5 1308/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR HSD11B1 2776/4885SMN1; SMN2 4772/4885CCR5 1306/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR HSD11B1 2776/4885SMN1; SMN2 4772/4885CCR5 1306/4885

“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.