Sugi Predict

Sugi Predict / Compounds / SCHEMBL4478067

SCHEMBL4478067

SCHEMBL4478067

CCS(=O)(=O)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL12384446 0.88 ALDH1A1 (0.48) KDM4EL3MBTL1GAAMAPTLMNA
SCHEMBL12947486 0.88 KDM4E (0.37) KDM4EPOLBL3MBTL1TSHRGAA
SCHEMBL26470417 0.86 MGAT2 (0.35) KDM4EPOLBL3MBTL1TSHRGAA
SCHEMBL24477820 0.83 EPHX2 (0.48) KDM4EPOLBL3MBTL1TSHRGAA
SCHEMBL22860158 0.83 EPHX2 (0.41) GAAMAPTLMNACYP2D6KCNH2
SCHEMBL26470404 0.81 MAPT (0.32) KDM4EPOLBL3MBTL1MAPTLMNA
SCHEMBL26470411 0.80 CA1 (0.42) POLBALDH1A1HSD11B1CYP2D6KCNH2
SCHEMBL1104697 0.80 TP53 (0.46) KDM4EPOLBL3MBTL1TSHRMAPT
SCHEMBL22959646 0.78 CYP2D6 (0.37) ALDH1A1HSD11B1CYP2D6KCNH2HRH3
SCHEMBL12201520 0.78 EPHX2 (0.39) ALDH1A1HSD11B1CYP2D6KCNH2HRH3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 — — EP disclosed
US-20230135215-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-04 — — US disclosed
US-20230135215-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-04 — — US disclosed
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors OSCOTEC INC. (KR) 2022-06-28 — — US disclosed
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC. (KR) 2021-11-25 — — US disclosed
EP-3722298-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR Oscotec Inc. (KR) 2020-10-14 — — EP disclosed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 — — US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 — — US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 — — US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 — — US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 — — US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — US 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 KDM4E 340/4885POLB 1517/4885L3MBTL1 2903/4885
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 KDM4E 1148/4885POLB 2423/4885L3MBTL1 1825/4885
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR LRRK2, PARK7, WEE1 KDM4E 2197/4885POLB 916/4885L3MBTL1 1193/4885
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors LRRK2, PARK7, PAK3 KDM4E 2262/4885POLB 1894/4885L3MBTL1 508/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 KDM4E 340/4885POLB 1517/4885L3MBTL1 2903/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KDM4E 2333/4885POLB 660/4885L3MBTL1 3165/4885
US-20230135215-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS CDK2, CDK6, CDK20 KDM4E 1131/4885POLB 568/4885L3MBTL1 1984/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KDM4E 1791/4885POLB 2890/4885L3MBTL1 4021/4885

“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.