SCHEMBL21795236

SCHEMBL21795236

COC(=O)c1cn(NC(C)C)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
NR4A2 P43354 3/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
CFTR P13569 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MYC P01106 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
SCHEMBL21794824 0.84 LMNA (0.38) KDM4EALDH1A1LMNAKMT2APOLB
SCHEMBL26807421 0.75 BRD4 (0.46) BRD4NR4A2KDM4EALDH1A1LMNA
SCHEMBL12890135 0.65 ALDH1A1 (0.47) BRD4KDM4EALDH1A1LMNAMAPT
Dimethyl Phthalate SCHEMBL28376050 0.61 TSHR (0.71) NR4A2KDM4EALDH1A1LMNAMAPT
SCHEMBL20524639 0.60 PTGS2 (0.51) BRD4KDM4EALDH1A1LMNAMAPT
SCHEMBL23699698 0.60 MAPT (0.35) GAAMAPTKMT2AMEN1CA12
SCHEMBL10103745 0.59 NR4A2 (0.48) BRD4NR4A2KDM4EALDH1A1LMNA
SCHEMBL10549106 0.59 KDM4E (0.45) NR4A2KDM4EALDH1A1LMNAGAA
SCHEMBL15536900 0.59 TSHR (0.45) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL16694755 0.59 ALDH1A1 (0.60) BRD4NR4A2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12128044-B2 Fused tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-10-29 US disclosed
CN-111217811-B Fused tricyclic compounds and application thereof in medicines 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
CN-110862390-B Fused tricyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-05-09 CN disclosed
US-20210236493-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-08-05 US disclosed
US-20210236493-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-08-05 US disclosed
CN-111217811-A Fused tricyclic compound and application thereof in medicines 广东东阳光药业有限公司 2020-06-02 CN disclosed
CN-111116577-A Fused tetracyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2020-05-08 CN disclosed
CN-110862390-A Fused tricyclic compound and application thereof in medicines 广东东阳光药业有限公司 2020-03-06 CN disclosed
WO-2020043080-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-03-05 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 (2 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-12128044-B2 Fused tricyclic compounds and uses thereof in medicine SLC10A1, CYP11B1, CYP11B2 BRD4 2309/4885NR4A2 1224/4885KDM4E 4269/4885
US-20210236493-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SLC10A1, CYP11B1, CYP11B2 BRD4 2309/4885NR4A2 1224/4885KDM4E 4269/4885

“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.