Sugi Predict

Sugi Predict / Compounds / SCHEMBL19206540

SCHEMBL19206540

SCHEMBL19206540

C=CCn1c2c([nH]c(=O)c1=O)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ GAA P10253 3/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ ADORA2A P29274 1/20 0.31

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
SCHEMBL19206537 0.74 ALDH1A1 (0.49) ALDH1A1CYP3A4HPGDNPC1ALOX15
SCHEMBL20739951 0.73 ALDH1A1 (0.51) ALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL14123302 0.69 RXFP1 (0.59) ALDH1A1RXFP1CYP3A4GAAHIF1A
SCHEMBL19229539 0.66 ALDH1A1 (0.41) ALDH1A1RXFP1CYP3A4GAAHIF1A
SCHEMBL2986363 0.63 ALDH1A1 (0.39) ALDH1A1CYP3A4GAALMNAHPGD
SCHEMBL19206497 0.63 ALDH1A1 (0.41) ALDH1A1RXFP1CYP3A4GAAHIF1A
SCHEMBL30530480 0.61 GRIA1 (0.52) ALDH1A1GAALMNAHPGDALOX15
SCHEMBL11725290 0.60 CYP3A4 (0.41) ALDH1A1RXFP1CYP3A4GAALMNA
SCHEMBL157928 0.60 CYP3A4 (0.71) ALDH1A1CYP3A4GAALMNANPC1
SCHEMBL11288632 0.60 ALDH1A1 (0.45) ALDH1A1RXFP1CYP3A4GAAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914273-B [1,2,4] triazolo derivatives as PDE1 inhibitors for the treatment of diabetes 伊莱利利公司 2023-05-16 — — CN disclosed
US-11401274-B2 [1,2,4]Triazolo derivatives as PDE1 inhibitors for the treatment of diabetes ELI LILLY AND COMPANY (US) 2022-08-02 — — US disclosed
EP-3665174-B1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES LILLY CO ELI (US) 2021-09-15 — — EP disclosed
EP-3665174-B1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES LILLY CO ELI (US) 2021-09-15 — — EP disclosed
EP-3414249-B1 PDE1 INHIBITOR LILLY CO ELI (US) 2021-06-23 — — EP disclosed
EP-3414249-B1 PDE1 INHIBITOR LILLY CO ELI (US) 2021-06-23 — — EP disclosed
US-20210147437-A1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES ELI LILLY AND COMPANY 2021-05-20 — — US disclosed
US-20210147437-A1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES ELI LILLY AND COMPANY 2021-05-20 — — US disclosed
EP-3665174-A1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES Eli Lilly and Company (US) 2020-06-17 — — EP disclosed
CN-110914273-A [1,2,4] triazolo derivatives as PDE1 inhibitors for the treatment of diabetes 伊莱利利公司 2020-03-24 — — CN disclosed
EP-3414249-A1 PDE1 INHIBITOR Eli Lilly and Company (US) 2018-12-19 — — EP disclosed
US-10112951-B2 PDE1 inhibitor ELI LILLY AND COMPANY (US) 2018-10-30 — — US disclosed
US-20180099973-A1 PDE1 INHIBITOR ELI LILLY AND COMPANY (US) 2018-04-12 — — US disclosed
US-20180099973-A1 PDE1 INHIBITOR ELI LILLY AND COMPANY (US) 2018-04-12 — — US disclosed
US-9868741-B2 PDE1 inhibitor ELI LILLY AND COMPANY (US) 2018-01-16 — — US disclosed
US-9868741-B2 PDE1 inhibitor ELI LILLY AND COMPANY (US) 2018-01-16 — — US disclosed
WO-2017139186-A1 PDE1 INHIBITOR ELI LILLY AND COMPANY (US) 2017-08-17 — — WO disclosed
WO-2017139186-A1 PDE1 INHIBITOR ELI LILLY AND COMPANY (US) 2017-08-17 — — WO disclosed
US-20170233396-A1 PDE1 INHIBITOR LILLY CO ELI (US) 2017-08-17 — — US disclosed
US-20170233396-A1 PDE1 INHIBITOR LILLY CO ELI (US) 2017-08-17 — — 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 (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-10112951-B2 PDE1 inhibitor PDE3B, PDE5A, PDE3A ALDH1A1 101/4885RXFP1 141/4885CYP3A4 2911/4885
US-20210147437-A1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES PDE3B, PDE3A, PDE5A ALDH1A1 1586/4885RXFP1 150/4885CYP3A4 1024/4885
US-11401274-B2 [1,2,4]Triazolo derivatives as PDE1 inhibitors for the treatment of diabetes PDE3B, PDE3A, PDE5A ALDH1A1 1586/4885RXFP1 150/4885CYP3A4 1024/4885
US-20180099973-A1 PDE1 INHIBITOR PDE3B, PDE5A, PDE3A ALDH1A1 101/4885RXFP1 141/4885CYP3A4 2911/4885
US-20170233396-A1 PDE1 INHIBITOR PDE3B, PDE5A, PDE3A ALDH1A1 101/4885RXFP1 141/4885CYP3A4 2911/4885

“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.